3-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]propanoate

Systemtic Name: 3-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]propanoate Openeye Name: 3-[(2-dodecylphenyl)methyl-dimethyl-ammonio]propanoate CAS Name: 3-[(2-dodecylphenyl)methyl-dimethylammonio]propanoate IUPAC Name: 3-[(2-dodecylphenyl)methyl-dimethylazaniumyl]propanoate Traditional Name: 3-[(2-laurylbenzyl)-dimethyl-ammonio]propionate Formula: C24H41NO2 MolecularWeight: 375.58784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-18-23(22)21-25(2,3)20-19-24(26)27/h14-15,17-18H,4-13,16,19-21H2,1-3H3