propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: isopropyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid isopropyl ester dihydrochloride Formula: C23H36Cl2N4O3 MolecularWeight: 487.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C23H34N4O3.2ClH/c1-15(2)30-23(29)18-3-7-19(8-4-18)26-22(28)17-11-13-27(14-12-17)20-9-5-16(6-10-20)21(24)25;;/h5-6,9-10,15,17-19H,3-4,7-8,11-14H2,1-2H3,(H3,24,25)(H,26,28);2*1H