hexadecyl(trimethyl)azanium; 2-oxidanylnaphthalene-1-carboxylate

Systemtic Name: hexadecyl(trimethyl)azanium; 2-oxidanylnaphthalene-1-carboxylate Openeye Name: hexadecyl(trimethyl)ammonium; 2-hydroxynaphthalene-1-carboxylate CAS Name: hexadecyl(trimethyl)ammonium; 2-hydroxy-1-naphthalenecarboxylate IUPAC Name: hexadecyl(trimethyl)azanium; 2-hydroxynaphthalene-1-carboxylate Traditional Name: cetyl(trimethyl)ammonium; 2-hydroxy-1-naphthoate Formula: C30H49NO3 MolecularWeight: 471.71496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C11H8O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h5-19H2,1-4H3;1-6,12H,(H,13,14)/q+1;/p-1