4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid dihydrochloride

Systemtic Name: 4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid dihydrochloride Openeye Name: 4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid dihydrochloride CAS Name: 4-[[[4-(4-carbamimidoyl-2-methylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid dihydrochloride IUPAC Name: 4-[[4-(4-carbamimidoyl-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid dihydrochloride Traditional Name: 4-[[4-(4-amidino-2-methyl-phenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid dihydrochloride Formula: C20H31Cl2N5O3 MolecularWeight: 460.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CCN(CC2)C(=O)NC3CCC(CC3)C(=O)O.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CCN(CC2)C(=O)NC3CCC(CC3)C(=O)O.Cl.Cl

InChI

InChI=1S/C20H29N5O3.2ClH/c1-13-12-15(18(21)22)4-7-17(13)24-8-10-25(11-9-24)20(28)23-16-5-2-14(3-6-16)19(26)27;;/h4,7,12,14,16H,2-3,5-6,8-11H2,1H3,(H3,21,22)(H,23,28)(H,26,27);2*1H