[1-[3-(2-aminocarbonylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[3-(2-aminocarbonylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [1-[3-(2-carbamoylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [1-[3-(2-carbamoylphenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-(2-carbamoylphenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [1-[3-(2-carbamoylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C29H31N2O5+ MolecularWeight: 487.56684

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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=CC=C5C(=O)N

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCCOC5=CC=CC=C5C(=O)N

InChI

InChI=1S/C29H30N2O5/c1-31(16-8-18-34-24-12-5-4-11-23(24)28(30)32)17-15-20(19-31)35-29(33)27-21-9-2-6-13-25(21)36-26-14-7-3-10-22(26)27/h2-7,9-14,20,27H,8,15-19H2,1H3,(H-,30,32)/p+1