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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-pentyl-amino]butanoate hydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentyl-amino]butanoate hydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-pentylamino]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentylamino]butanoate hydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-amyl-amino]butyric acid methyl ester hydrochloride Formula: C23H37ClN4O3 MolecularWeight: 453.01788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC(=O)OC)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CCCCCN(CCCC(=O)OC)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C23H36N4O3.ClH/c1-3-4-5-14-27(15-6-7-21(28)30-2)23(29)19-12-16-26(17-13-19)20-10-8-18(9-11-20)22(24)25;/h8-11,19H,3-7,12-17H2,1-2H3,(H3,24,25);1H