4-ethanoyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenolate

Systemtic Name: 4-ethanoyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenolate Openeye Name: 4-acetyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenolate CAS Name: 4-acetyl-2-(1-pyrrolidin-1-iumylmethyl)phenolate IUPAC Name: 4-acetyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenolate Traditional Name: 4-acetyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenolate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)[O-])C[NH+]2CCCC2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C13H17NO2/c1-10(15)11-4-5-13(16)12(8-11)9-14-6-2-3-7-14/h4-5,8,16H,2-3,6-7,9H2,1H3