[1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-4-piperidin-1-iumyl] ester bromide IUPAC Name: [1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] ester bromide Formula: C24H30BrNO5 MolecularWeight: 492.4027

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4OCCO4.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4OCCO4.[Br-]

InChI

InChI=1S/C24H30NO5.BrH/c1-25(18-22-28-16-17-29-22)14-12-21(13-15-25)30-23(26)24(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11,21-22,27H,12-18H2,1H3;1H/q+1;/p-1