4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid dihydrochloride

Systemtic Name: 4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid dihydrochloride Openeye Name: 4-[4-(5-carbamimidoyl-2-pyridyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexanecarboxylic acid dihydrochloride CAS Name: 4-[4-(5-carbamimidoyl-2-pyridinyl)-3-(methylcarbamoyl)-1-piperazinyl]-1-cyclohexanecarboxylic acid dihydrochloride IUPAC Name: 4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid dihydrochloride Traditional Name: 4-[4-(5-amidino-2-pyridyl)-3-(methylcarbamoyl)piperazino]cyclohexanecarboxylic acid dihydrochloride Formula: C19H30Cl2N6O3 MolecularWeight: 461.3859

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C2=NC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O.Cl.Cl

Isomeric SMILES

CNC(=O)C1CN(CCN1C2=NC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O.Cl.Cl

InChI

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