2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]ethanoate

Systemtic Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]ethanoate Openeye Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate CAS Name: 2-[3-(1-piperazin-4-iumylmethyl)phenoxy]acetate IUPAC Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate Traditional Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c16-13(17)10-18-12-3-1-2-11(8-12)9-15-6-4-14-5-7-15/h1-3,8,14H,4-7,9-10H2,(H,16,17)