2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-ylidene]ethanoic acid dihydrochloride

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-ylidene]ethanoic acid dihydrochloride Openeye Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidylidene]acetic acid dihydrochloride CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinylidene]acetic acid dihydrochloride IUPAC Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-ylidene]acetic acid dihydrochloride Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidylidene]acetic acid dihydrochloride Formula: C20H28Cl2N4O3 MolecularWeight: 443.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(=CC(=O)O)CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(=CC(=O)O)CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C20H26N4O3.2ClH/c21-19(22)15-1-3-17(4-2-15)23-11-7-16(8-12-23)20(27)24-9-5-14(6-10-24)13-18(25)26;;/h1-4,13,16H,5-12H2,(H3,21,22)(H,25,26);2*1H