methyl-(2-methylcyclohexyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: methyl-(2-methylcyclohexyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-(2-methylcyclohexyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: methyl-(2-methylcyclohexyl)-[1-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-4-piperidinyl]ammonium IUPAC Name: methyl-(2-methylcyclohexyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: [1-(mesitylthiocarbamoyl)-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C23H38N3S+ MolecularWeight: 388.63292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+](C)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1CCCCC1[NH+](C)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H37N3S/c1-16-14-18(3)22(19(4)15-16)24-23(27)26-12-10-20(11-13-26)25(5)21-9-7-6-8-17(21)2/h14-15,17,20-21H,6-13H2,1-5H3,(H,24,27)/p+1