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

Systemtic Name: 1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-oxo-2-(4-phenylphenyl)ethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-keto-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C27H23BrN2O2 MolecularWeight: 487.38772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H22N2O2.BrH/c30-26(24-13-11-23(12-14-24)22-9-5-2-6-10-22)20-29-17-15-25(16-18-29)27(31)28-19-21-7-3-1-4-8-21;/h1-18H,19-20H2;1H