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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-pentyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentyl-amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-pentylamino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentylamino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-amyl-amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C26H41ClN4O3 MolecularWeight: 493.08174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O3.ClH/c1-3-4-5-16-30(23-12-8-21(9-13-23)26(32)33-2)25(31)20-14-17-29(18-15-20)22-10-6-19(7-11-22)24(27)28;/h6-7,10-11,20-21,23H,3-5,8-9,12-18H2,1-2H3,(H3,27,28);1H