propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate trihydrochloride

Systemtic Name: propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate trihydrochloride Openeye Name: isopropyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylate trihydrochloride CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid propan-2-yl ester trihydrochloride IUPAC Name: propan-2-yl 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 isopropyl ester trihydrochloride Formula: C24H41Cl3N4O2 MolecularWeight: 523.96694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)N(C)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)N(C)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C24H38N4O2.3ClH/c1-17(2)30-24(29)20-6-8-21(9-7-20)27(3)16-18-12-14-28(15-13-18)22-10-4-19(5-11-22)23(25)26;;;/h4-5,10-11,17-18,20-21H,6-9,12-16H2,1-3H3,(H3,25,26);3*1H