2-oxidanylidene-N-(pyridin-1-ium-2-ylmethyl)chromene-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-(pyridin-1-ium-2-ylmethyl)chromene-3-carboxamide Openeye Name: 2-oxo-N-(pyridin-1-ium-2-ylmethyl)chromene-3-carboxamide CAS Name: 2-oxo-N-(2-pyridin-1-iumylmethyl)-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-(pyridin-1-ium-2-ylmethyl)chromene-3-carboxamide Traditional Name: 2-keto-N-(pyridin-1-ium-2-ylmethyl)chromene-3-carboxamide Formula: C16H13N2O3+ MolecularWeight: 281.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H12N2O3/c19-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)21-16(13)20/h1-9H,10H2,(H,18,19)/p+1