2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanoate

Systemtic Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanoate Openeye Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetate IUPAC Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c15-13(16)9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H,15,16)