methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methylamino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid methyl ester dihydrochloride Formula: C22H36Cl2N4O2 MolecularWeight: 459.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC.Cl.Cl

Isomeric SMILES

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC.Cl.Cl

InChI

InChI=1S/C22H34N4O2.2ClH/c1-25(19-7-5-18(6-8-19)22(27)28-2)15-16-11-13-26(14-12-16)20-9-3-17(4-10-20)21(23)24;;/h3-4,9-10,16,18-19H,5-8,11-15H2,1-2H3,(H3,23,24);2*1H