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

Systemtic Name: [1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Openeye Name: [1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-methylcyclohexyl)ammonium CAS Name: [1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-methylcyclohexyl)ammonium IUPAC Name: [1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-methylcyclohexyl)azanium Traditional Name: methyl-(2-methylcyclohexyl)-[1-(p-phenetylthiocarbamoyl)-4-piperidyl]ammonium Formula: C22H36N3OS+ MolecularWeight: 390.60574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3C

InChI

InChI=1S/C22H35N3OS/c1-4-26-20-11-9-18(10-12-20)23-22(27)25-15-13-19(14-16-25)24(3)21-8-6-5-7-17(21)2/h9-12,17,19,21H,4-8,13-16H2,1-3H3,(H,23,27)/p+1