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1-dodecyl-3-(heptoxymethyl)-2-phenyl-imidazol-3-ium chloride

1-dodecyl-3-(heptoxymethyl)-2-phenyl-imidazol-3-ium chloride

Systemtic Name:1-dodecyl-3-(heptoxymethyl)-2-phenyl-imidazol-3-ium chloride
Openeye Name:1-dodecyl-3-(heptoxymethyl)-2-phenyl-imidazol-3-ium chloride
CAS Name:1-dodecyl-3-(heptoxymethyl)-2-phenylimidazol-3-ium chloride
IUPAC Name:1-dodecyl-3-(heptoxymethyl)-2-phenylimidazol-3-ium chloride
Traditional Name:1-(heptoxymethyl)-3-lauryl-2-phenyl-imidazol-1-ium chloride
Formula: C29H49ClN2O
MolecularWeight: 477.16516
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C[N+](=C1C2=CC=CC=C2)COCCCCCCC.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCN1C=C[N+](=C1C2=CC=CC=C2)COCCCCCCC.[Cl-]


InChI

InChI=1S/C29H49N2O.ClH/c1-3-5-7-9-10-11-12-13-14-19-23-30-24-25-31(27-32-26-20-15-8-6-4-2)29(30)28-21-17-16-18-22-28;/h16-18,21-22,24-25H,3-15,19-20,23,26-27H2,1-2H3;1H/q+1;/p-1


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