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

Systemtic Name: cyclohexyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cyclohexyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cyclohexyl-[1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cyclohexyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(4-carbethoxyphenyl)thiocarbamoyl]-4-piperidyl]-cyclohexyl-methyl-ammonium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-3-27-21(26)17-9-11-18(12-10-17)23-22(28)25-15-13-20(14-16-25)24(2)19-7-5-4-6-8-19/h9-12,19-20H,3-8,13-16H2,1-2H3,(H,23,28)/p+1