dimethyl-[2-(9,10,10-trimethylanthracen-9-yl)oxyethyl]azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: dimethyl-[2-(9,10,10-trimethylanthracen-9-yl)oxyethyl]azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: dimethyl-[2-[(9,10,10-trimethyl-9-anthryl)oxy]ethyl]ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: dimethyl-[2-[(9,10,10-trimethyl-9-anthracenyl)oxy]ethyl]ammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: dimethyl-[2-(9,10,10-trimethylanthracen-9-yl)oxyethyl]azanium; 4-hydroxy-4-oxobutanoate Traditional Name: dimethyl-[2-[(9,10,10-trimethyl-9-anthryl)oxy]ethyl]ammonium; 4-hydroxy-4-keto-butyrate Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)OCC[NH+](C)C)C.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)OCC[NH+](C)C)C.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C21H27NO.C4H6O4/c1-20(2)16-10-6-8-12-18(16)21(3,23-15-14-22(4)5)19-13-9-7-11-17(19)20;5-3(6)1-2-4(7)8/h6-13H,14-15H2,1-5H3;1-2H2,(H,5,6)(H,7,8)