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

Systemtic Name: methyl-(2-methylcyclohexyl)-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-(2-methylcyclohexyl)-[1-(p-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: methyl-[1-[(4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-(2-methylcyclohexyl)ammonium IUPAC Name: methyl-(2-methylcyclohexyl)-[1-[(4-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: methyl-(2-methylcyclohexyl)-[1-(p-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3S/c1-16-8-10-18(11-9-16)22-21(25)24-14-12-19(13-15-24)23(3)20-7-5-4-6-17(20)2/h8-11,17,19-20H,4-7,12-15H2,1-3H3,(H,22,25)/p+1