N-(2-hydroxyethyl)-1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide

Systemtic Name: N-(2-hydroxyethyl)-1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-(2-hydroxyethyl)-1-[2-keto-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCCO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCCO.[Br-]

InChI

InChI=1S/C22H20N2O3.BrH/c25-15-12-23-22(27)20-10-13-24(14-11-20)16-21(26)19-8-6-18(7-9-19)17-4-2-1-3-5-17;/h1-11,13-14,25H,12,15-16H2;1H