[1-[[[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[[2-[(2-chlorophenyl)thio]-3-pyridinyl]-oxomethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[[2-[(2-chlorophenyl)thio]nicotinoyl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3OS/c1-25(2)21(12-6-3-7-13-21)15-24-19(26)16-9-8-14-23-20(16)27-18-11-5-4-10-17(18)22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,26)/p+1