cyclohexyl-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium

Systemtic Name: cyclohexyl-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cyclohexyl-[1-[(2,3-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cyclohexyl-[1-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cyclohexyl-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: cyclohexyl-[1-[(2,3-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-ammonium Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3)C

InChI

InChI=1S/C21H33N3S/c1-16-8-7-11-20(17(16)2)22-21(25)24-14-12-19(13-15-24)23(3)18-9-5-4-6-10-18/h7-8,11,18-19H,4-6,9-10,12-15H2,1-3H3,(H,22,25)/p+1