(1-methyl-1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate

Systemtic Name: (1-methyl-1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate Openeye Name: (1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate CAS Name: benzoic acid (1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) ester IUPAC Name: (1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate Traditional Name: benzoic acid (1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=CC1)OC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

C[N+]1(CCC(=CC1)OC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H15NO3/c1-14(16)9-7-12(8-10-14)17-13(15)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3