1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)OC.[Br-]

InChI

InChI=1S/C23H22N2O4.BrH/c1-28-21-9-8-19(14-22(21)29-2)20(26)16-25-12-10-18(11-13-25)23(27)24-15-17-6-4-3-5-7-17;/h3-14H,15-16H2,1-2H3;1H