methyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H31ClN4O3 MolecularWeight: 422.94884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H30N4O3.ClH/c1-28-20(26)17-6-8-18(9-7-17)24-21(27)25-12-10-15(11-13-25)14-2-4-16(5-3-14)19(22)23;/h2-5,15,17-18H,6-13H2,1H3,(H3,22,23)(H,24,27);1H