N-(3-methyl-1-phenyl-butyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-methyl-1-phenyl-butyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H22N2O2S/c1-14(2)12-16(15-8-4-3-5-9-15)19-17(21)13-23-18-10-6-7-11-20(18)22/h3-11,14,16H,12-13H2,1-2H3,(H,19,21)