dimethyl-octadecyl-propyl-azanium; 2-oxidanylbenzoate

Systemtic Name: dimethyl-octadecyl-propyl-azanium; 2-oxidanylbenzoate Openeye Name: dimethyl-octadecyl-propyl-ammonium; 2-hydroxybenzoate CAS Name: dimethyl-octadecyl-propylammonium; 2-hydroxybenzoate IUPAC Name: dimethyl-octadecyl-propylazanium; 2-hydroxybenzoate Traditional Name: dimethyl-propyl-stearyl-ammonium; salicylate Formula: C30H55NO3 MolecularWeight: 477.7626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H50N.C7H6O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;8-6-4-2-1-3-5(6)7(9)10/h5-23H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1