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hexadecyl-dimethyl-(phenylmethyl)azanium; 4-octylphenolate

hexadecyl-dimethyl-(phenylmethyl)azanium; 4-octylphenolate

Systemtic Name:hexadecyl-dimethyl-(phenylmethyl)azanium; 4-octylphenolate
Openeye Name:benzyl-hexadecyl-dimethyl-ammonium; 4-octylphenolate
CAS Name:hexadecyl-dimethyl-(phenylmethyl)ammonium; 4-octylphenolate
IUPAC Name:benzyl-hexadecyl-dimethylazanium; 4-octylphenolate
Traditional Name:benzyl-cetyl-dimethyl-ammonium; 4-octylphenolate
Formula: C39H67NO
MolecularWeight: 565.95538
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCC1=CC=C(C=C1)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCC1=CC=C(C=C1)[O-]


InChI

InChI=1S/C25H46N.C14H22O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h17-19,21-22H,4-16,20,23-24H2,1-3H3;9-12,15H,2-8H2,1H3/q+1;/p-1


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