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

Systemtic Name: [1-methyl-1-[3-(4-nitrophenoxy)propyl]pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [1-methyl-1-[3-(4-nitrophenoxy)propyl]pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-methyl-1-[3-(4-nitrophenoxy)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-[3-(4-nitrophenoxy)propyl]pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [1-methyl-1-[3-(4-nitrophenoxy)propyl]pyrrolidin-1-ium-3-yl] ester Formula: C28H29N2O6+ MolecularWeight: 489.53966

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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=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H29N2O6/c1-30(16-6-18-34-21-13-11-20(12-14-21)29(32)33)17-15-22(19-30)35-28(31)27-23-7-2-4-9-25(23)36-26-10-5-3-8-24(26)27/h2-5,7-14,22,27H,6,15-19H2,1H3/q+1