[1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C29H30NO6+ MolecularWeight: 488.5516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCCOC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCCOC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H30NO6/c1-30(14-6-16-32-20-11-12-26-27(17-20)34-19-33-26)15-13-21(18-30)35-29(31)28-22-7-2-4-9-24(22)36-25-10-5-3-8-23(25)28/h2-5,7-12,17,21,28H,6,13-16,18-19H2,1H3/q+1