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dodecyl-dimethyl-[2-methylidene-3-(phenylmethyl)pentanoyl]oxy-azanium

dodecyl-dimethyl-[2-methylidene-3-(phenylmethyl)pentanoyl]oxy-azanium

Systemtic Name:dodecyl-dimethyl-[2-methylidene-3-(phenylmethyl)pentanoyl]oxy-azanium
Openeye Name:(3-benzyl-2-methylene-pentanoyl)oxy-dodecyl-dimethyl-ammonium
CAS Name:dodecyl-dimethyl-[2-methylene-1-oxo-3-(phenylmethyl)pentoxy]ammonium
IUPAC Name:(3-benzyl-2-methylidenepentanoyl)oxy-dodecyl-dimethylazanium
Traditional Name:[2-(1-benzylpropyl)acryloyl]oxy-lauryl-dimethyl-ammonium
Formula: C27H46NO2+
MolecularWeight: 416.65964
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)OC(=O)C(=C)C(CC)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)OC(=O)C(=C)C(CC)CC1=CC=CC=C1


InChI

InChI=1S/C27H46NO2/c1-6-8-9-10-11-12-13-14-15-19-22-28(4,5)30-27(29)24(3)26(7-2)23-25-20-17-16-18-21-25/h16-18,20-21,26H,3,6-15,19,22-23H2,1-2,4-5H3/q+1


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