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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(4-carbethoxyphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C23H36N3O2S+ MolecularWeight: 418.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

InChI

InChI=1S/C23H35N3O2S/c1-4-28-22(27)18-9-11-19(12-10-18)24-23(29)26-15-13-20(14-16-26)25(3)21-8-6-5-7-17(21)2/h9-12,17,20-21H,4-8,13-16H2,1-3H3,(H,24,29)/p+1