3-(4-aminophenyl)carbonyloxypropyl-dibutyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-(4-aminophenyl)carbonyloxypropyl-dibutyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 3-(4-aminobenzoyl)oxypropyl-dibutyl-ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: 3-[(4-aminophenyl)-oxomethoxy]propyl-dibutylammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: 3-(4-aminobenzoyl)oxypropyl-dibutylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: 3-(4-aminobenzoyl)oxypropyl-dibutyl-ammonium; 4-hydroxy-4-keto-butyrate Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCOC(=O)C1=CC=C(C=C1)N.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC[NH+](CCCC)CCCOC(=O)C1=CC=C(C=C1)N.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C18H30N2O2.C4H6O4/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;5-3(6)1-2-4(7)8/h8-11H,3-7,12-15,19H2,1-2H3;1-2H2,(H,5,6)(H,7,8)