2-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]ethanoic acid hydrochloride Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetic acid hydrochloride CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-1-piperazinyl]acetic acid hydrochloride IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetic acid hydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)benzoyl]piperazino]acetic acid hydrochloride Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H22N4O3.ClH/c21-19(22)16-5-1-14(2-6-16)15-3-7-17(8-4-15)20(27)24-11-9-23(10-12-24)13-18(25)26;/h1-8H,9-13H2,(H3,21,22)(H,25,26);1H