[1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide

Systemtic Name: [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide Openeye Name: [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide CAS Name: 9H-xanthene-9-carboxylic 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] 9H-xanthene-9-carboxylate bromide Traditional Name: 9H-xanthene-9-carboxylic acid [1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-yl] ester bromide Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5OCCO5.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5OCCO5.[Br-]

InChI

InChI=1S/C24H28NO5.BrH/c1-25(16-22-27-14-15-28-22)12-10-17(11-13-25)29-24(26)23-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)23;/h2-9,17,22-23H,10-16H2,1H3;1H/q+1;/p-1