hexadecyl(trimethyl)azanium; 5-octanoyl-2-oxidanyl-benzoate

Systemtic Name: hexadecyl(trimethyl)azanium; 5-octanoyl-2-oxidanyl-benzoate Openeye Name: hexadecyl(trimethyl)ammonium; 2-hydroxy-5-octanoyl-benzoate CAS Name: hexadecyl(trimethyl)ammonium; 2-hydroxy-5-(1-oxooctyl)benzoate IUPAC Name: hexadecyl(trimethyl)azanium; 2-hydroxy-5-octanoylbenzoate Traditional Name: 5-caprylyl-2-hydroxy-benzoate; cetyl(trimethyl)ammonium Formula: C34H61NO4 MolecularWeight: 547.85244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C19H42N.C15H20O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h5-19H2,1-4H3;8-10,17H,2-7H2,1H3,(H,18,19)/q+1;/p-1