[1-[[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[[2-[(2,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[[2-[(2,4-dimethylphenyl)thio]nicotinoyl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3(CCCCC3)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3(CCCCC3)[NH+](C)C)C

InChI

InChI=1S/C23H31N3OS/c1-17-10-11-20(18(2)15-17)28-22-19(9-8-14-24-22)21(27)25-16-23(26(3)4)12-6-5-7-13-23/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,25,27)/p+1