N-(4-methoxyphenyl)-3-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-methoxyphenyl)-3-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butanamide Openeye Name: N-(4-methoxyphenyl)-3-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-butanamide CAS Name: N-(4-methoxyphenyl)-3-methyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]butanamide IUPAC Name: N-(4-methoxyphenyl)-3-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide Traditional Name: N-(4-methoxyphenyl)-3-methyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]butyramide Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12(2)16(23-15-6-4-5-11-19(15)21)17(20)18-13-7-9-14(22-3)10-8-13/h4-12,16H,1-3H3,(H,18,20)