2-(3-hexadecylimidazol-1-ium-1-yl)-N'-oxidanyl-ethanimidamide chloride

Systemtic Name: 2-(3-hexadecylimidazol-1-ium-1-yl)-N'-oxidanyl-ethanimidamide chloride Openeye Name: 2-(3-hexadecylimidazol-1-ium-1-yl)-N'-hydroxy-acetamidine chloride CAS Name: 2-(3-hexadecyl-1-imidazol-1-iumyl)-N'-hydroxyethanimidamide chloride IUPAC Name: 2-(3-hexadecylimidazol-1-ium-1-yl)-N'-hydroxyethanimidamide chloride Traditional Name: 2-(3-cetylimidazol-1-ium-1-yl)-N'-hydroxy-acetamidine chloride Formula: C21H41ClN4O MolecularWeight: 401.02944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC(=NO)N.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C/C(=N/O)/N.[Cl-]

InChI

InChI=1S/C21H40N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-18-25(20-24)19-21(22)23-26;/h17-18,20H,2-16,19H2,1H3,(H2-,22,23,26);1H