[1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium

Systemtic Name: [1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(2,6-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(2,6-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(2,6-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=C(C=CC=C3C)C

Isomeric SMILES

CC1CCCCC1[NH+](C)C2CCN(CC2)C(=S)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H35N3S/c1-16-8-5-6-11-20(16)24(4)19-12-14-25(15-13-19)22(26)23-21-17(2)9-7-10-18(21)3/h7,9-10,16,19-20H,5-6,8,11-15H2,1-4H3,(H,23,26)/p+1