2-(1-oxidanidyl-5-phenyl-pyridin-1-ium-2-yl)-N-(thiolan-2-ylmethyl)ethanamide

Systemtic Name: 2-(1-oxidanidyl-5-phenyl-pyridin-1-ium-2-yl)-N-(thiolan-2-ylmethyl)ethanamide Openeye Name: 2-(1-oxido-5-phenyl-pyridin-1-ium-2-yl)-N-(tetrahydrothiophen-2-ylmethyl)acetamide CAS Name: 2-(1-oxido-5-phenyl-2-pyridin-1-iumyl)-N-(2-thiolanylmethyl)acetamide IUPAC Name: 2-(1-oxido-5-phenylpyridin-1-ium-2-yl)-N-(thiolan-2-ylmethyl)acetamide Traditional Name: 2-(1-oxido-5-phenyl-pyridin-1-ium-2-yl)-N-(tetrahydrothiophen-2-ylmethyl)acetamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)CNC(=O)CC2=[N+](C=C(C=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC(SC1)CNC(=O)CC2=[N+](C=C(C=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H20N2O2S/c21-18(19-12-17-7-4-10-23-17)11-16-9-8-15(13-20(16)22)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,17H,4,7,10-12H2,(H,19,21)