3-[[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(4-isopropylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-p-cumenylvinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C24H23NO2 MolecularWeight: 357.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C24H23NO2/c1-18(2)21-12-9-19(10-13-21)11-14-23-8-3-4-15-25(23)17-20-6-5-7-22(16-20)24(26)27/h3-16,18H,17H2,1-2H3/b14-11+