SYT

(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium

Created:	2019-05-29
Last modified:	2019-08-14

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1 entries where SYT is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	45
Chiral Atom Count	2
Bond Count	50
Aromatic Bond Count	12

2D diagram of SYT

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Chemical Component Summary
Name	(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₀ H₂₀ N O₄
Molecular Weight	338.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C[N+]34Cc2c1c(OCO1)ccc2CC3c5c(CC4)cc6c(c5)OCO6
SMILES	CACTVS	3.385	C[N+]12CCc3cc4OCOc4cc3[CH]1Cc5ccc6OCOc6c5C2
SMILES	OpenEye OEToolkits	2.0.7	C[N+]12CCc3cc4c(cc3C1Cc5ccc6c(c5C2)OCO6)OCO4
Canonical SMILES	CACTVS	3.385	C[N@@+]12CCc3cc4OCOc4cc3[C@@H]1Cc5ccc6OCOc6c5C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4
InChI	InChI	1.03	InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1
InChIKey	InChI	1.03	GBUUKFRQPCPYPW-KKSFZXQISA-N

Related Resource References

Resource Name	Reference
PubChem	5460426
ChEBI	CHEBI:444
CCDC/CSD	YIQPUM

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