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hexadecyl-dimethyl-(phenylmethyl)azanium; prop-2-enoate

hexadecyl-dimethyl-(phenylmethyl)azanium; prop-2-enoate

Systemtic Name:hexadecyl-dimethyl-(phenylmethyl)azanium; prop-2-enoate
Openeye Name:benzyl-hexadecyl-dimethyl-ammonium; prop-2-enoate
CAS Name:hexadecyl-dimethyl-(phenylmethyl)ammonium; 2-propenoate
IUPAC Name:benzyl-hexadecyl-dimethylazanium; prop-2-enoate
Traditional Name:acrylate; benzyl-cetyl-dimethyl-ammonium
Formula: C28H49NO2
MolecularWeight: 431.69416
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H46N.C3H4O2/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/h17-19,21-22H,4-16,20,23-24H2,1-3H3;2H,1H2,(H,4,5)/q+1;/p-1


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