2-methylpropyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: 2-methylpropyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: isobutyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 2-methylpropyl ester dihydrochloride IUPAC Name: 2-methylpropyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid isobutyl ester dihydrochloride Formula: C23H37Cl2N5O3 MolecularWeight: 502.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O3.2ClH/c1-16(2)15-31-22(29)18-3-7-19(8-4-18)26-23(30)28-13-11-27(12-14-28)20-9-5-17(6-10-20)21(24)25;;/h5-6,9-10,16,18-19H,3-4,7-8,11-15H2,1-2H3,(H3,24,25)(H,26,30);2*1H