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

Systemtic Name: 1-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-(2-keto-2-p-phenetyl-ethyl)pyridin-1-ium-4-carboxamide bromide Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H22N2O3.BrH/c1-2-28-21-10-8-19(9-11-21)22(26)17-25-14-12-20(13-15-25)23(27)24-16-18-6-4-3-5-7-18;/h3-15H,2,16-17H2,1H3;1H