dimethyl-(2-oxidanyldodecyl)-(phenylmethyl)azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: dimethyl-(2-oxidanyldodecyl)-(phenylmethyl)azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: benzyl-(2-hydroxydodecyl)-dimethyl-ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: 2-hydroxydodecyl-dimethyl-(phenylmethyl)ammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: benzyl-(2-hydroxydodecyl)-dimethylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: benzyl-(2-hydroxydodecyl)-dimethyl-ammonium; 4-hydroxy-4-keto-butyrate Formula: C25H43NO5 MolecularWeight: 437.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(C)CC1=CC=CC=C1)O.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(C)CC1=CC=CC=C1)O.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C21H38NO.C4H6O4/c1-4-5-6-7-8-9-10-14-17-21(23)19-22(2,3)18-20-15-12-11-13-16-20;5-3(6)1-2-4(7)8/h11-13,15-16,21,23H,4-10,14,17-19H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/q+1;/p-1