1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-(2-oxo-2-thiophen-2-ylethyl)-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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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=CS3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C19H16N2O2S.BrH/c22-17(18-7-4-12-24-18)14-21-10-8-16(9-11-21)19(23)20-13-15-5-2-1-3-6-15;/h1-12H,13-14H2;1H