1-oxidanidyl-N-[(4-propylphenyl)-thiophen-2-yl-methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(4-propylphenyl)-thiophen-2-yl-methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[(4-propylphenyl)-(2-thienyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[(4-propylphenyl)-(2-thienyl)methyl]pyridin-1-ium-3-carboxamide Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H20N2O2S/c1-2-5-15-8-10-16(11-9-15)19(18-7-4-13-25-18)21-20(23)17-6-3-12-22(24)14-17/h3-4,6-14,19H,2,5H2,1H3,(H,21,23)