methyl 2-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]ethanoate dihydrochloride

Systemtic Name: methyl 2-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]ethanoate dihydrochloride Openeye Name: methyl 2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetate dihydrochloride CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-1-piperazinyl]acetic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetate dihydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)benzoyl]piperazino]acetic acid methyl ester dihydrochloride Formula: C21H26Cl2N4O3 MolecularWeight: 453.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

COC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H24N4O3.2ClH/c1-28-19(26)14-24-10-12-25(13-11-24)21(27)18-8-4-16(5-9-18)15-2-6-17(7-3-15)20(22)23;;/h2-9H,10-14H2,1H3,(H3,22,23);2*1H