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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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