(2-dodecylphenyl)methyl-dimethyl-azanium; hexanoate

Systemtic Name: (2-dodecylphenyl)methyl-dimethyl-azanium; hexanoate Openeye Name: (2-dodecylphenyl)methyl-dimethyl-ammonium; hexanoate CAS Name: (2-dodecylphenyl)methyl-dimethylammonium; hexanoate IUPAC Name: (2-dodecylphenyl)methyl-dimethylazanium; hexanoate Traditional Name: hexanoate; (2-laurylbenzyl)-dimethyl-ammonium Formula: C27H49NO2 MolecularWeight: 419.68346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C[NH+](C)C.CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C[NH+](C)C.CCCCCC(=O)[O-]

InChI

InChI=1S/C21H37N.C6H12O2/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;1-2-3-4-5-6(7)8/h14-15,17-18H,4-13,16,19H2,1-3H3;2-5H2,1H3,(H,7,8)