2-[[4-(2-dimethylaminoethyloxy)-5-oxidanylidene-1-phenethyl-3-phenyl-2H-pyrrol-1-ium-1-yl]oxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(2-dimethylaminoethyloxy)-5-oxidanylidene-1-phenethyl-3-phenyl-2H-pyrrol-1-ium-1-yl]oxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(2-dimethylaminoethyloxy)-5-oxo-1-phenethyl-3-phenyl-2H-pyrrol-1-ium-1-yl]oxy]-2-oxo-acetic acid CAS Name: 2-[[4-(2-dimethylaminoethyloxy)-5-oxo-1-phenethyl-3-phenyl-2H-pyrrol-1-ium-1-yl]oxy]-2-oxoacetic acid IUPAC Name: 2-[[4-(2-dimethylaminoethyloxy)-5-oxo-1-phenethyl-3-phenyl-2H-pyrrol-1-ium-1-yl]oxy]-2-oxoacetic acid Traditional Name: 2-[[3-(2-dimethylaminoethyloxy)-2-keto-1-phenethyl-4-phenyl-3-pyrrolin-1-ium-1-yl]oxy]-2-keto-acetic acid Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C[N+](C1=O)(CCC2=CC=CC=C2)OC(=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCOC1=C(C[N+](C1=O)(CCC2=CC=CC=C2)OC(=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O6/c1-25(2)14-16-31-21-20(19-11-7-4-8-12-19)17-26(22(21)27,32-24(30)23(28)29)15-13-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3/p+1