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

Systemtic Name: methyl-(2-methylcyclohexyl)-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-(2-methylcyclohexyl)-[1-[(3-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: methyl-(2-methylcyclohexyl)-[1-[[3-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: methyl-(2-methylcyclohexyl)-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: methyl-(2-methylcyclohexyl)-[1-[[3-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C21H34N3S2+ MolecularWeight: 392.64476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3S2/c1-16-7-4-5-10-20(16)23(2)18-11-13-24(14-12-18)21(25)22-17-8-6-9-19(15-17)26-3/h6,8-9,15-16,18,20H,4-5,7,10-14H2,1-3H3,(H,22,25)/p+1