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

Systemtic Name: 3-methyl-N-[2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethyl]-2-oxidanylidene-pentanamide iodide Openeye Name: 3-methyl-N-[2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethyl]-2-oxo-pentanamide iodide CAS Name: 3-methyl-N-[2-(3-methyl-2-phenyl-1-benzimidazol-3-iumyl)ethyl]-2-oxopentanamide iodide IUPAC Name: 3-methyl-N-[2-(3-methyl-2-phenylbenzimidazol-3-ium-1-yl)ethyl]-2-oxopentanamide iodide Traditional Name: 2-keto-3-methyl-N-[2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethyl]valeramide iodide Formula: C22H26IN3O2 MolecularWeight: 491.36521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)NCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCC(C)C(=O)C(=O)NCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C22H25N3O2.HI/c1-4-16(2)20(26)21(27)23-14-15-25-19-13-9-8-12-18(19)24(3)22(25)17-10-6-5-7-11-17;/h5-13,16H,4,14-15H2,1-3H3;1H