2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxy-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxy-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-(trimethylammonio)acetate CAS Name: 2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-2-(trimethylammonio)acetate IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-(trimethylazaniumyl)acetate Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-(trimethylammonio)acetate Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C(=O)[O-])[N+](C)(C)C)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C(=O)[O-])[N+](C)(C)C)C(=O)C(=O)N

InChI

InChI=1S/C23H25N3O5/c1-14-18(20(27)21(24)28)19-16(25(14)13-15-9-6-5-7-10-15)11-8-12-17(19)31-22(23(29)30)26(2,3)4/h5-12,22H,13H2,1-4H3,(H2-,24,28,29,30)