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

Systemtic Name: 3-[[2-[(E)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C25H25NO2 MolecularWeight: 371.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2/c1-25(2,3)22-13-10-19(11-14-22)12-15-23-9-4-5-16-26(23)18-20-7-6-8-21(17-20)24(27)28/h4-17H,18H2,1-3H3/b15-12+