3-[[[(1R)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(1R)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[[(1R)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[(1R)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H29ClN3OS+ MolecularWeight: 382.97106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(C)C1(CCCCC1=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(C)[C@]1(CCCCC1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H28ClN3OS/c1-22(2)14-8-13-21-18(25)23(3)19(12-7-6-11-17(19)24)15-9-4-5-10-16(15)20/h4-5,9-10H,6-8,11-14H2,1-3H3,(H,21,25)/p+1/t19-/m1/s1