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6-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]hexanoate

6-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]hexanoate

Systemtic Name:6-[(2-dodecylphenyl)methyl-dimethyl-azaniumyl]hexanoate
Openeye Name:6-[(2-dodecylphenyl)methyl-dimethyl-ammonio]hexanoate
CAS Name:6-[(2-dodecylphenyl)methyl-dimethylammonio]hexanoate
IUPAC Name:6-[(2-dodecylphenyl)methyl-dimethylazaniumyl]hexanoate
Traditional Name:6-[(2-laurylbenzyl)-dimethyl-ammonio]hexanoate
Formula: C27H47NO2
MolecularWeight: 417.66758
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-14-19-25-20-16-17-21-26(25)24-28(2,3)23-18-13-15-22-27(29)30/h16-17,20-21H,4-15,18-19,22-24H2,1-3H3


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