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

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

Systemtic Name:6-[(2-hexadecylphenyl)methyl-dimethyl-azaniumyl]hexanoate
Openeye Name:6-[(2-hexadecylphenyl)methyl-dimethyl-ammonio]hexanoate
CAS Name:6-[(2-hexadecylphenyl)methyl-dimethylammonio]hexanoate
IUPAC Name:6-[(2-hexadecylphenyl)methyl-dimethylazaniumyl]hexanoate
Traditional Name:6-[(2-cetylbenzyl)-dimethyl-ammonio]hexanoate
Formula: C31H55NO2
MolecularWeight: 473.7739
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCCCC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCCCC(=O)[O-]


InChI

InChI=1S/C31H55NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-29-24-20-21-25-30(29)28-32(2,3)27-22-17-19-26-31(33)34/h20-21,24-25H,4-19,22-23,26-28H2,1-3H3


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