3-methyl-N-[2-(3-methylbenzimidazol-3-ium-1-yl)ethyl]-2-oxidanylidene-pentanamide iodide

Systemtic Name: 3-methyl-N-[2-(3-methylbenzimidazol-3-ium-1-yl)ethyl]-2-oxidanylidene-pentanamide iodide Openeye Name: 3-methyl-N-[2-(3-methylbenzimidazol-3-ium-1-yl)ethyl]-2-oxo-pentanamide iodide CAS Name: 3-methyl-N-[2-(3-methyl-1-benzimidazol-3-iumyl)ethyl]-2-oxopentanamide iodide IUPAC Name: 3-methyl-N-[2-(3-methylbenzimidazol-3-ium-1-yl)ethyl]-2-oxopentanamide iodide Traditional Name: 2-keto-3-methyl-N-[2-(3-methylbenzimidazol-3-ium-1-yl)ethyl]valeramide iodide Formula: C16H22IN3O2 MolecularWeight: 415.26925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)NCCN1C=[N+](C2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCC(C)C(=O)C(=O)NCCN1C=[N+](C2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C16H21N3O2.HI/c1-4-12(2)15(20)16(21)17-9-10-19-11-18(3)13-7-5-6-8-14(13)19;/h5-8,11-12H,4,9-10H2,1-3H3;1H