3-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: 3-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-methyl-1-pyridin-1-iumyl)methyl]benzoate IUPAC Name: 3-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H13NO2/c1-11-5-7-15(8-6-11)10-12-3-2-4-13(9-12)14(16)17/h2-9H,10H2,1H3