[2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: [2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl 4-pyridin-1-ium-1-ylbutanoate Openeye Name: [2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid [2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl ester Formula: C23H30NO7+ MolecularWeight: 432.4868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H30NO7/c1-23(17-13-19(26-2)22(28-4)20(14-17)27-3)30-16-18(31-23)15-29-21(25)9-8-12-24-10-6-5-7-11-24/h5-7,10-11,13-14,18H,8-9,12,15-16H2,1-4H3/q+1