methyl 4-(1-propan-2-ylpyridin-1-ium-4-yl)benzoate

Systemtic Name: methyl 4-(1-propan-2-ylpyridin-1-ium-4-yl)benzoate Openeye Name: methyl 4-(1-isopropylpyridin-1-ium-4-yl)benzoate CAS Name: 4-(1-propan-2-yl-4-pyridin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-propan-2-ylpyridin-1-ium-4-yl)benzoate Traditional Name: 4-(1-isopropylpyridin-1-ium-4-yl)benzoic acid methyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC

InChI

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