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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-cyclohexyl-methyl-azanium Openeye Name: [1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-cyclohexyl-methyl-ammonium CAS Name: [1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-cyclohexyl-methylammonium IUPAC Name: [1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-cyclohexyl-methylazanium Traditional Name: [1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-cyclohexyl-methyl-ammonium Formula: C20H31ClN3S+ MolecularWeight: 380.99824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

InChI

InChI=1S/C20H30ClN3S/c1-15-18(21)9-6-10-19(15)22-20(25)24-13-11-17(12-14-24)23(2)16-7-4-3-5-8-16/h6,9-10,16-17H,3-5,7-8,11-14H2,1-2H3,(H,22,25)/p+1