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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-cyclohexyl-methyl-azanium Openeye Name: [1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]-cyclohexyl-methyl-ammonium CAS Name: [1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-cyclohexyl-methylammonium IUPAC Name: [1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-cyclohexyl-methylazanium Traditional Name: [1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-cyclohexyl-methyl-ammonium Formula: C20H31ClN3S+ MolecularWeight: 380.99824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3)Cl

InChI

InChI=1S/C20H30ClN3S/c1-15-8-9-16(14-19(15)21)22-20(25)24-12-10-18(11-13-24)23(2)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,22,25)/p+1