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

Systemtic Name: 2-[4-chloranyl-3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]ethanoate Openeye Name: 2-[4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate CAS Name: 2-[4-chloro-3-(1-pyrrolidin-1-iumylmethyl)phenoxy]acetate IUPAC Name: 2-[4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate Traditional Name: 2-[4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC(=C2)OCC(=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC(=C2)OCC(=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO3/c14-12-4-3-11(18-9-13(16)17)7-10(12)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,16,17)