icosan-2-yl-dimethyl-oxidanyl-azanium; 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: icosan-2-yl-dimethyl-oxidanyl-azanium; 3-oxidanylnaphthalene-2-carboxylate Openeye Name: hydroxy-dimethyl-(1-methylnonadecyl)ammonium; 3-hydroxynaphthalene-2-carboxylate CAS Name: eicosan-2-yl-hydroxy-dimethylammonium; 3-hydroxy-2-naphthalenecarboxylate IUPAC Name: hydroxy-icosan-2-yl-dimethylazanium; 3-hydroxynaphthalene-2-carboxylate Traditional Name: hydroxy-dimethyl-(1-methylnonadecyl)ammonium; 3-hydroxy-2-naphthoate Formula: C33H55NO4 MolecularWeight: 529.7941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48NO.C11H8O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3,4)24;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h22,24H,5-21H2,1-4H3;1-6,12H,(H,13,14)/q+1;/p-1