2-[[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[[(1S)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H27ClN3OS+ MolecularWeight: 368.94448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3OS/c1-21(2)13-12-20-17(24)22(3)18(11-7-6-10-16(18)23)14-8-4-5-9-15(14)19/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,20,24)/p+1/t18-/m0/s1