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1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium chloride

1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium chloride

Systemtic Name:1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium chloride
Openeye Name:1-benzyl-3-hexadecyl-2-methyl-imidazol-1-ium chloride
CAS Name:1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium chloride
IUPAC Name:1-benzyl-3-hexadecyl-2-methylimidazol-1-ium chloride
Traditional Name:1-benzyl-3-cetyl-2-methyl-imidazol-1-ium chloride
Formula: C27H45ClN2
MolecularWeight: 433.1126
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]


InChI

InChI=1S/C27H45N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1


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