1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(3-hydroxypropyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: N-(3-hydroxypropyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(3-hydroxypropyl)-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-(3-hydroxypropyl)-1-[2-keto-2-(4-phenylphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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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)NCCCO.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3.BrH/c26-16-4-13-24-23(28)21-11-14-25(15-12-21)17-22(27)20-9-7-19(8-10-20)18-5-2-1-3-6-18;/h1-3,5-12,14-15,26H,4,13,16-17H2;1H