2-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]ethanoate

Systemtic Name: 2-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]ethanoate Openeye Name: 2-[(2-dodecylphenyl)methyl-dimethyl-ammonio]acetate CAS Name: 2-[(2-dodecylphenyl)methyl-dimethylammonio]acetate IUPAC Name: 2-[(2-dodecylphenyl)methyl-dimethylazaniumyl]acetate Traditional Name: 2-[(2-laurylbenzyl)-dimethyl-ammonio]acetate Formula: C23H39NO2 MolecularWeight: 361.56126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)19-24(2,3)20-23(25)26/h14-15,17-18H,4-13,16,19-20H2,1-3H3