hexadecyl-hexyl-dimethyl-azanium; 6-methylnaphthalene-2-carboxylate

Systemtic Name: hexadecyl-hexyl-dimethyl-azanium; 6-methylnaphthalene-2-carboxylate Openeye Name: hexadecyl-hexyl-dimethyl-ammonium; 6-methylnaphthalene-2-carboxylate CAS Name: hexadecyl-hexyl-dimethylammonium; 6-methyl-2-naphthalenecarboxylate IUPAC Name: hexadecyl-hexyl-dimethylazanium; 6-methylnaphthalene-2-carboxylate Traditional Name: cetyl-hexyl-dimethyl-ammonium; 6-methyl-2-naphthoate Formula: C36H61NO2 MolecularWeight: 539.87504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC.CC1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC.CC1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C24H52N.C12H10O2/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-25(3,4)23-21-10-8-6-2;1-8-2-3-10-7-11(12(13)14)5-4-9(10)6-8/h5-24H2,1-4H3;2-7H,1H3,(H,13,14)/q+1;/p-1