1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(2-ketochromen-3-yl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Br-]

InChI

InChI=1S/C17H12N2O4.BrH/c18-16(21)12-5-3-7-19(9-12)10-14(20)13-8-11-4-1-2-6-15(11)23-17(13)22;/h1-9H,10H2,(H-,18,21);1H