cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid cyclohexyl ester dihydrochloride IUPAC Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid cyclohexyl ester dihydrochloride Formula: C26H41Cl2N5O3 MolecularWeight: 542.54144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C26H39N5O3.2ClH/c1-29(21-11-9-20(10-12-21)25(32)34-23-5-3-2-4-6-23)26(33)31-17-15-30(16-18-31)22-13-7-19(8-14-22)24(27)28;;/h7-8,13-14,20-21,23H,2-6,9-12,15-18H2,1H3,(H3,27,28);2*1H