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

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

Systemtic Name:dodecyl-methyl-(1-phenylprop-2-enyl)azanium; ethanoic acid
Openeye Name:acetic acid; dodecyl-methyl-(1-phenylallyl)ammonium
CAS Name:acetic acid; dodecyl-methyl-(1-phenylprop-2-enyl)ammonium
IUPAC Name:acetic acid; dodecyl-methyl-(1-phenylprop-2-enyl)azanium
Traditional Name:acetic acid; lauryl-methyl-(1-phenylallyl)ammonium
Formula: C24H42NO2+
MolecularWeight: 376.59578
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H37N.C2H4O2/c1-4-6-7-8-9-10-11-12-13-17-20-23(3)22(5-2)21-18-15-14-16-19-21;1-2(3)4/h5,14-16,18-19,22H,2,4,6-13,17,20H2,1,3H3;1H3,(H,3,4)/p+1


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