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

Systemtic Name: [1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(4-methoxyphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(4-methoxyphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3OS/c1-16-6-4-5-7-20(16)23(2)18-12-14-24(15-13-18)21(26)22-17-8-10-19(25-3)11-9-17/h8-11,16,18,20H,4-7,12-15H2,1-3H3,(H,22,26)/p+1