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

Systemtic Name: methyl 4-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C15H16NO2+ MolecularWeight: 242.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2/c1-12-7-9-16(10-8-12)11-13-3-5-14(6-4-13)15(17)18-2/h3-10H,11H2,1-2H3/q+1