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

Systemtic Name: methyl 3-[(4-ethylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-ethylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-ethyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-ethylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H18NO2/c1-3-13-7-9-17(10-8-13)12-14-5-4-6-15(11-14)16(18)19-2/h4-11H,3,12H2,1-2H3/q+1