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

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

Systemtic Name:1-dodecyl-3-(pentoxymethyl)-2-phenyl-imidazol-3-ium chloride
Openeye Name:1-dodecyl-3-(pentoxymethyl)-2-phenyl-imidazol-3-ium chloride
CAS Name:1-dodecyl-3-(pentoxymethyl)-2-phenylimidazol-3-ium chloride
IUPAC Name:1-dodecyl-3-(pentoxymethyl)-2-phenylimidazol-3-ium chloride
Traditional Name:1-(amoxymethyl)-3-lauryl-2-phenyl-imidazol-1-ium chloride
Formula: C27H45ClN2O
MolecularWeight: 449.112
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H45N2O.ClH/c1-3-5-7-8-9-10-11-12-13-17-21-28-22-23-29(25-30-24-18-6-4-2)27(28)26-19-15-14-16-20-26;/h14-16,19-20,22-23H,3-13,17-18,21,24-25H2,1-2H3;1H/q+1;/p-1


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