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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3S/c1-15-8-9-17(14-19(15)22)23-21(26)25-12-10-18(11-13-25)24(3)20-7-5-4-6-16(20)2/h8-9,14,16,18,20H,4-7,10-13H2,1-3H3,(H,23,26)/p+1