methyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H32ClN5O3 MolecularWeight: 437.96348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H31N5O3.ClH/c1-24(17-7-5-16(6-8-17)20(27)29-2)21(28)26-13-11-25(12-14-26)18-9-3-15(4-10-18)19(22)23;/h3-4,9-10,16-17H,5-8,11-14H2,1-2H3,(H3,22,23);1H