4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid hydrate dihydrochloride

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid hydrate dihydrochloride Openeye Name: 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid hydrate dihydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid hydrate dihydrochloride IUPAC Name: 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid hydrate dihydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid hydrate dihydrochloride Formula: C19H31Cl2N5O4 MolecularWeight: 464.38654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.O.Cl.Cl

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.O.Cl.Cl

InChI

InChI=1S/C19H27N5O3.2ClH.H2O/c20-17(21)13-3-7-16(8-4-13)23-9-11-24(12-10-23)19(27)22-15-5-1-14(2-6-15)18(25)26;;;/h3-4,7-8,14-15H,1-2,5-6,9-12H2,(H3,20,21)(H,22,27)(H,25,26);2*1H;1H2