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dodecyl-methyl-(2-methyl-1-phenyl-prop-2-enyl)azanium; ethanoic acid

dodecyl-methyl-(2-methyl-1-phenyl-prop-2-enyl)azanium; ethanoic acid

Systemtic Name:dodecyl-methyl-(2-methyl-1-phenyl-prop-2-enyl)azanium; ethanoic acid
Openeye Name:acetic acid; dodecyl-methyl-(2-methyl-1-phenyl-allyl)ammonium
CAS Name:acetic acid; dodecyl-methyl-(2-methyl-1-phenylprop-2-enyl)ammonium
IUPAC Name:acetic acid; dodecyl-methyl-(2-methyl-1-phenylprop-2-enyl)azanium
Traditional Name:acetic acid; lauryl-methyl-(2-methyl-1-phenyl-allyl)ammonium
Formula: C25H44NO2+
MolecularWeight: 390.62236
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](C)C(C1=CC=CC=C1)C(=C)C.CC(=O)O


Isomeric SMILES

CCCCCCCCCCCC[NH+](C)C(C1=CC=CC=C1)C(=C)C.CC(=O)O


InChI

InChI=1S/C23H39N.C2H4O2/c1-5-6-7-8-9-10-11-12-13-17-20-24(4)23(21(2)3)22-18-15-14-16-19-22;1-2(3)4/h14-16,18-19,23H,2,5-13,17,20H2,1,3-4H3;1H3,(H,3,4)/p+1


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