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

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N-(2-phenoxyethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-oxo-2-(2-thienyl)ethyl]-N-(2-phenoxyethyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-(2-oxo-2-thiophen-2-ylethyl)-N-(2-phenoxyethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-(2-oxo-2-thiophen-2-ylethyl)-N-(2-phenoxyethyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-N-(2-phenoxyethyl)pyridin-1-ium-4-carboxamide bromide Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S.BrH/c23-18(19-7-4-14-26-19)15-22-11-8-16(9-12-22)20(24)21-10-13-25-17-5-2-1-3-6-17;/h1-9,11-12,14H,10,13,15H2;1H