4-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C16H16NO4+ MolecularWeight: 286.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=[N+]2CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COC(O1)C2=CC=CC=[N+]2CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15NO4/c18-15(19)13-6-4-12(5-7-13)11-17-8-2-1-3-14(17)16-20-9-10-21-16/h1-8,16H,9-11H2/p+1