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

Systemtic Name: 2-[4-chloranyl-3-(piperazin-4-ium-1-ylmethyl)phenoxy]ethanoate Openeye Name: 2-[4-chloro-3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate CAS Name: 2-[4-chloro-3-(1-piperazin-4-iumylmethyl)phenoxy]acetate IUPAC Name: 2-[4-chloro-3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate Traditional Name: 2-[4-chloro-3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3/c14-12-2-1-11(19-9-13(17)18)7-10(12)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8-9H2,(H,17,18)