2-(3-hexadecylimidazol-1-ium-1-yl)ethanenitrile chloride

Systemtic Name: 2-(3-hexadecylimidazol-1-ium-1-yl)ethanenitrile chloride Openeye Name: 2-(3-hexadecylimidazol-1-ium-1-yl)acetonitrile chloride CAS Name: 2-(3-hexadecyl-1-imidazol-1-iumyl)acetonitrile chloride IUPAC Name: 2-(3-hexadecylimidazol-1-ium-1-yl)acetonitrile chloride Traditional Name: 2-(3-cetylimidazol-1-ium-1-yl)acetonitrile chloride Formula: C21H38ClN3 MolecularWeight: 367.99952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC#N.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC#N.[Cl-]

InChI

InChI=1S/C21H38N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-19-20-24(21-23)18-16-22;/h19-21H,2-15,17-18H2,1H3;1H/q+1;/p-1