(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl benzoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl benzoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl benzoate CAS Name: benzoic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl)methyl ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl benzoate Traditional Name: benzoic acid (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C2=CC=CC=C2)C

Isomeric SMILES

C[N+]1(CCCC1COC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C14H20NO2/c1-15(2)10-6-9-13(15)11-17-14(16)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/q+1