propan-2-yl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: propan-2-yl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: isopropyl 4-[[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[1-(5-amidino-2-pyridyl)isonipecotoyl]amino]cyclohexanecarboxylic acid isopropyl ester dihydrochloride Formula: C22H35Cl2N5O3 MolecularWeight: 488.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3.2ClH/c1-14(2)30-22(29)16-3-6-18(7-4-16)26-21(28)15-9-11-27(12-10-15)19-8-5-17(13-25-19)20(23)24;;/h5,8,13-16,18H,3-4,6-7,9-12H2,1-2H3,(H3,23,24)(H,26,28);2*1H