cyclohexyl-methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: cyclohexyl-methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclohexyl-methyl-[1-(o-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: cyclohexyl-methyl-[1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: cyclohexyl-methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclohexyl-methyl-[1-(o-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C20H32N3S+ MolecularWeight: 346.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

InChI

InChI=1S/C20H31N3S/c1-16-8-6-7-11-19(16)21-20(24)23-14-12-18(13-15-23)22(2)17-9-4-3-5-10-17/h6-8,11,17-18H,3-5,9-10,12-15H2,1-2H3,(H,21,24)/p+1