dimethyl-octadecyl-(phenylmethyl)azanium; 2-oxidanylbenzoate

Systemtic Name: dimethyl-octadecyl-(phenylmethyl)azanium; 2-oxidanylbenzoate Openeye Name: benzyl-dimethyl-octadecyl-ammonium; 2-hydroxybenzoate CAS Name: dimethyl-octadecyl-(phenylmethyl)ammonium; 2-hydroxybenzoate IUPAC Name: benzyl-dimethyl-octadecylazanium; 2-hydroxybenzoate Traditional Name: benzyl-dimethyl-stearyl-ammonium; salicylate Formula: C34H55NO3 MolecularWeight: 525.8054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.C7H6O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-6-4-2-1-3-5(6)7(9)10/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4,8H,(H,9,10)/q+1;/p-1