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

Systemtic Name: [1-[(2-ethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(2-ethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(2-ethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(2-ethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: [1-[(2-ethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium Formula: C22H36N3S+ MolecularWeight: 374.60634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

InChI

InChI=1S/C22H35N3S/c1-4-18-10-6-7-11-20(18)23-22(26)25-15-13-19(14-16-25)24(3)21-12-8-5-9-17(21)2/h6-7,10-11,17,19,21H,4-5,8-9,12-16H2,1-3H3,(H,23,26)/p+1