1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylic acid trihydrochloride

Systemtic Name: 1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylic acid trihydrochloride Openeye Name: 1-[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]ethyl]piperidine-4-carboxylic acid trihydrochloride CAS Name: 1-[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]ethyl]-4-piperidinecarboxylic acid trihydrochloride IUPAC Name: 1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylic acid trihydrochloride Traditional Name: 1-[2-[1-(4-amidinophenyl)-4-piperidyl]ethyl]isonipecotic acid trihydrochloride Formula: C20H33Cl3N4O2 MolecularWeight: 467.86062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1CCN2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C20H30N4O2.3ClH/c21-19(22)16-1-3-18(4-2-16)24-13-6-15(7-14-24)5-10-23-11-8-17(9-12-23)20(25)26;;;/h1-4,15,17H,5-14H2,(H3,21,22)(H,25,26);3*1H