2-ethyl-3-oxamoyl-1-phenethyl-1-propyl-indol-1-ium-6-carboxylic acid

Systemtic Name: 2-ethyl-3-oxamoyl-1-phenethyl-1-propyl-indol-1-ium-6-carboxylic acid Openeye Name: 2-ethyl-3-oxamoyl-1-phenethyl-1-propyl-indol-1-ium-6-carboxylic acid CAS Name: 2-ethyl-3-oxamoyl-1-phenethyl-1-propyl-6-indol-1-iumcarboxylic acid IUPAC Name: 2-ethyl-3-oxamoyl-1-phenethyl-1-propylindol-1-ium-6-carboxylic acid Traditional Name: 2-ethyl-3-oxamoyl-1-phenethyl-1-propyl-indol-1-ium-6-carboxylic acid Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=CC(=C2)C(=O)O)C(=C1CC)C(=O)C(=O)N)CCC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1(C2=C(C=CC(=C2)C(=O)O)C(=C1CC)C(=O)C(=O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4/c1-3-13-26(14-12-16-8-6-5-7-9-16)19(4-2)21(22(27)23(25)28)18-11-10-17(24(29)30)15-20(18)26/h5-11,15H,3-4,12-14H2,1-2H3,(H2-,25,28,29,30)/p+1