2-[4-[5-(4-carbamimidoylphenyl)pyridin-2-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-(4-carbamimidoylphenyl)pyridin-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(4-carbamimidoylphenyl)-2-pyridyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[5-(4-carbamimidoylphenyl)-2-pyridinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-(4-carbamimidoylphenyl)pyridin-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-(4-amidinophenyl)-2-pyridyl]piperazino]acetic acid Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H21N5O2/c19-18(20)14-3-1-13(2-4-14)15-5-6-16(21-11-15)23-9-7-22(8-10-23)12-17(24)25/h1-6,11H,7-10,12H2,(H3,19,20)(H,24,25)