[2-acetyloxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]phenyl] ethanoate Openeye Name: [2-acetoxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]phenyl] ester IUPAC Name: [2-acetyloxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-5-tert-butyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]phenyl] ester Formula: C23H28NO6+ MolecularWeight: 414.47152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)C[N+]2=CC=CC=C2C3OCCO3)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)C[N+]2=CC=CC=C2C3OCCO3)C(C)(C)C

InChI

InChI=1S/C23H28NO6/c1-15(25)29-20-13-18(23(3,4)5)12-17(21(20)30-16(2)26)14-24-9-7-6-8-19(24)22-27-10-11-28-22/h6-9,12-13,22H,10-11,14H2,1-5H3/q+1