pentyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate trihydrochloride

Systemtic Name: pentyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate trihydrochloride Openeye Name: pentyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate trihydrochloride CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]amino]propanoic acid pentyl ester trihydrochloride IUPAC Name: pentyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate trihydrochloride Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]amino]propionic acid amyl ester trihydrochloride Formula: C21H36Cl3N5O3 MolecularWeight: 512.90124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCNC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

CCCCCOC(=O)CCNC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C21H33N5O3.3ClH/c1-2-3-4-15-29-20(28)9-10-24-19(27)16-25-11-13-26(14-12-25)18-7-5-17(6-8-18)21(22)23;;;/h5-8H,2-4,9-16H2,1H3,(H3,22,23)(H,24,27);3*1H