[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium

Systemtic Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C22H36N3S+ MolecularWeight: 374.60634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+](C)C2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1CCCCC1[NH+](C)C2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H35N3S/c1-16-13-17(2)15-19(14-16)23-22(26)25-11-9-20(10-12-25)24(4)21-8-6-5-7-18(21)3/h13-15,18,20-21H,5-12H2,1-4H3,(H,23,26)/p+1