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4-[hexadecyl(dimethyl)azaniumyl]benzoate

4-[hexadecyl(dimethyl)azaniumyl]benzoate

Systemtic Name:4-[hexadecyl(dimethyl)azaniumyl]benzoate
Openeye Name:4-[hexadecyl(dimethyl)ammonio]benzoate
CAS Name:4-[hexadecyl(dimethyl)ammonio]benzoate
IUPAC Name:4-[hexadecyl(dimethyl)azaniumyl]benzoate
Traditional Name:4-[cetyl(dimethyl)ammonio]benzoate
Formula: C25H43NO2
MolecularWeight: 389.61442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=C(C=C1)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=C(C=C1)C(=O)[O-]


InChI

InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26(2,3)24-20-18-23(19-21-24)25(27)28/h18-21H,4-17,22H2,1-3H3


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