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

Systemtic Name: [1-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(3-chloro-4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C21H33ClN3OS+ MolecularWeight: 411.02422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3OS/c1-15-6-4-5-7-19(15)24(2)17-10-12-25(13-11-17)21(27)23-16-8-9-20(26-3)18(22)14-16/h8-9,14-15,17,19H,4-7,10-13H2,1-3H3,(H,23,27)/p+1