2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoic acid trihydrochloride

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoic acid trihydrochloride Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-piperidyl]acetic acid trihydrochloride CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-piperidinyl]acetic acid trihydrochloride IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid trihydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]piperidino]acetic acid trihydrochloride Formula: C18H30Cl3N5O2 MolecularWeight: 454.8221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O.Cl.Cl.Cl

InChI

InChI=1S/C18H27N5O2.3ClH/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25;;;/h1-4,16H,5-13H2,(H3,19,20)(H,24,25);3*1H