[1-[3-(4-acetamidophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[3-(4-acetamidophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [1-[3-(4-acetamidophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-[3-(4-acetamidophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-(4-acetamidophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [1-[3-(4-acetamidophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C30H33N2O5+ MolecularWeight: 501.59342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2(CCC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2(CCC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

InChI

InChI=1S/C30H32N2O5/c1-21(33)31-22-12-14-23(15-13-22)35-19-7-17-32(2)18-16-24(20-32)36-30(34)29-25-8-3-5-10-27(25)37-28-11-6-4-9-26(28)29/h3-6,8-15,24,29H,7,16-20H2,1-2H3/p+1