4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid dihydrochloride

Systemtic Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid dihydrochloride Openeye Name: 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid dihydrochloride CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid dihydrochloride IUPAC Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylic acid dihydrochloride Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid dihydrochloride Formula: C19H30Cl2N6O3 MolecularWeight: 461.3859

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H28N6O3.2ClH/c1-23(15-5-2-13(3-6-15)18(26)27)19(28)25-10-8-24(9-11-25)16-7-4-14(12-22-16)17(20)21;;/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H3,20,21)(H,26,27);2*1H