hexadecyl-dimethyl-(phenylmethyl)azanium; 5-octanoyl-2-oxidanyl-benzoate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; 5-octanoyl-2-oxidanyl-benzoate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; 2-hydroxy-5-octanoyl-benzoate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; 2-hydroxy-5-(1-oxooctyl)benzoate IUPAC Name: benzyl-hexadecyl-dimethylazanium; 2-hydroxy-5-octanoylbenzoate Traditional Name: benzyl-cetyl-dimethyl-ammonium; 5-caprylyl-2-hydroxy-benzoate Formula: C40H65NO4 MolecularWeight: 623.9484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.C15H20O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h17-19,21-22H,4-16,20,23-24H2,1-3H3;8-10,17H,2-7H2,1H3,(H,18,19)/q+1;/p-1