2-[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonyloxyethyl-dimethyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonyloxyethyl-dimethyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-(1-benzyl-2,3-dimethyl-indole-5-carbonyl)oxyethyl-dimethyl-ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: 2-[[2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-oxomethoxy]ethyl-dimethylammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: 2-(1-benzyl-2,3-dimethylindole-5-carbonyl)oxyethyl-dimethylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: 2-(1-benzyl-2,3-dimethyl-indole-5-carbonyl)oxyethyl-dimethyl-ammonium; 4-hydroxy-4-keto-butyrate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)OCC[NH+](C)C)CC3=CC=CC=C3)C.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)OCC[NH+](C)C)CC3=CC=CC=C3)C.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C22H26N2O2.C4H6O4/c1-16-17(2)24(15-18-8-6-5-7-9-18)21-11-10-19(14-20(16)21)22(25)26-13-12-23(3)4;5-3(6)1-2-4(7)8/h5-11,14H,12-13,15H2,1-4H3;1-2H2,(H,5,6)(H,7,8)