cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate trihydrochloride

Systemtic Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate trihydrochloride Openeye Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylate trihydrochloride CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid cyclohexyl ester trihydrochloride IUPAC Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methylamino]cyclohexane-1-carboxylate trihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid cyclohexyl ester trihydrochloride Formula: C27H45Cl3N4O2 MolecularWeight: 564.0308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC4CCCCC4.Cl.Cl.Cl

Isomeric SMILES

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC4CCCCC4.Cl.Cl.Cl

InChI

InChI=1S/C27H42N4O2.3ClH/c1-30(23-11-9-22(10-12-23)27(32)33-25-5-3-2-4-6-25)19-20-15-17-31(18-16-20)24-13-7-21(8-14-24)26(28)29;;;/h7-8,13-14,20,22-23,25H,2-6,9-12,15-19H2,1H3,(H3,28,29);3*1H