dimethyl-[(2R)-3-methyl-1-[[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[[2-(p-tolylsulfanyl)pyridine-3-carbonyl]amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]amino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[[2-(p-tolylthio)nicotinoyl]amino]methyl]propyl]ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(C(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC[C@@H](C(C)C)[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-14(2)18(23(4)5)13-22-19(24)17-7-6-12-21-20(17)25-16-10-8-15(3)9-11-16/h6-12,14,18H,13H2,1-5H3,(H,22,24)/p+1/t18-/m0/s1