A1AXO

8-carbamoyl-1-benzopyran-1-ium

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AXO is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of A1AXO

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Chemical Component Summary
Name	8-carbamoyl-1-benzopyran-1-ium
Systematic Name (OpenEye OEToolkits)	chromenylium-8-carboxamide
Formula	C₁₀ H₈ N O₂
Molecular Weight	174.176
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1cccc2ccc[o+]c12
SMILES	CACTVS	3.385	NC(=O)c1cccc2ccc[o+]c12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2ccc[o+]c2c(c1)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cccc2ccc[o+]c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2ccc[o+]c2c(c1)C(=O)N
InChI	InChI	1.06	InChI=1S/C10H7NO2/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H-,11,12)/p+1
InChIKey	InChI	1.06	WLJDGPRXZCEFJM-UHFFFAOYSA-O

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.