[1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methylpyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [1-[3-[3-(dimethylamino)phenoxy]propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C30H35N2O4+ MolecularWeight: 487.6099

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OCCC[N+]2(CCC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OCCC[N+]2(CCC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

InChI

InChI=1S/C30H35N2O4/c1-31(2)22-10-8-11-23(20-22)34-19-9-17-32(3)18-16-24(21-32)35-30(33)29-25-12-4-6-14-27(25)36-28-15-7-5-13-26(28)29/h4-8,10-15,20,24,29H,9,16-19,21H2,1-3H3/q+1