[1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C21H33ClN3S+ MolecularWeight: 395.02482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3S/c1-15-7-4-5-10-20(15)24(3)17-11-13-25(14-12-17)21(26)23-19-9-6-8-18(22)16(19)2/h6,8-9,15,17,20H,4-5,7,10-14H2,1-3H3,(H,23,26)/p+1