5-decanoyl-2-oxidanyl-benzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 5-decanoyl-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-(1-oxodecyl)benzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 5-decanoyl-2-hydroxybenzoate Traditional Name: benzyl(trimethyl)ammonium; 5-capryl-2-hydroxy-benzoate Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4.C10H16N/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;1-11(2,3)9-10-7-5-4-6-8-10/h10-12,19H,2-9H2,1H3,(H,20,21);4-8H,9H2,1-3H3/q;+1/p-1