1-oxidanidyl-N-(2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-(2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-(2-thiophen-2-ylethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-(2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCCC2=CC=CS2

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCCC2=CC=CS2

InChI

InChI=1S/C12H12N2O2S/c15-12(10-3-1-7-14(16)9-10)13-6-5-11-4-2-8-17-11/h1-4,7-9H,5-6H2,(H,13,15)