1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(4-benzamidophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(4-benzamidophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)N.[Br-]

InChI

InChI=1S/C21H17N3O3.BrH/c22-20(26)16-10-12-24(13-11-16)14-19(25)15-6-8-18(9-7-15)23-21(27)17-4-2-1-3-5-17;/h1-13H,14H2,(H2-,22,23,25,26,27);1H