docosyl(trimethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: docosyl(trimethyl)azanium; 3-oxidanylnaphthalene-2-carboxylate Openeye Name: docosyl(trimethyl)ammonium; 3-hydroxynaphthalene-2-carboxylate CAS Name: docosyl(trimethyl)ammonium; 3-hydroxy-2-naphthalenecarboxylate IUPAC Name: docosyl(trimethyl)azanium; 3-hydroxynaphthalene-2-carboxylate Traditional Name: behenyl(trimethyl)ammonium; 3-hydroxy-2-naphthoate Formula: C36H61NO3 MolecularWeight: 555.87444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O

InChI

InChI=1S/C25H54N.C11H8O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-25H2,1-4H3;1-6,12H,(H,13,14)/q+1;/p-1