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

Systemtic Name: 2-[4-[2-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-carbamimidoylphenyl)piperazin-1-yl]-1-piperidyl]acetic acid CAS Name: 2-[4-[2-(4-carbamimidoylphenyl)-1-piperazinyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[2-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-amidinophenyl)piperazino]piperidino]acetic acid Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCNCC2C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N2CCNCC2C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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