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ethyl-hexadecyl-dimethyl-azanium; 2-(6-methylheptyl)phenolate

ethyl-hexadecyl-dimethyl-azanium; 2-(6-methylheptyl)phenolate

Systemtic Name:ethyl-hexadecyl-dimethyl-azanium; 2-(6-methylheptyl)phenolate
Openeye Name:ethyl-hexadecyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate
CAS Name:ethyl-hexadecyl-dimethylammonium; 2-(6-methylheptyl)phenolate
IUPAC Name:ethyl-hexadecyl-dimethylazanium; 2-(6-methylheptyl)phenolate
Traditional Name:cetyl-ethyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate
Formula: C34H65NO
MolecularWeight: 503.886
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC(C)CCCCCC1=CC=CC=C1[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC(C)CCCCCC1=CC=CC=C1[O-]


InChI

InChI=1S/C20H44N.C14H22O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-12(2)8-4-3-5-9-13-10-6-7-11-14(13)15/h5-20H2,1-4H3;6-7,10-12,15H,3-5,8-9H2,1-2H3/q+1;/p-1


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