ethyl 1-[1-oxidanylidene-1-(4-phenylphenyl)propan-2-yl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-[1-oxidanylidene-1-(4-phenylphenyl)propan-2-yl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[1-methyl-2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[1-oxo-1-(4-phenylphenyl)propan-2-yl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[1-oxo-1-(4-phenylphenyl)propan-2-yl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-keto-1-methyl-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22NO3.BrH/c1-3-27-23(26)21-10-7-15-24(16-21)17(2)22(25)20-13-11-19(12-14-20)18-8-5-4-6-9-18;/h4-17H,3H2,1-2H3;1H/q+1;/p-1