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

Systemtic Name: 3-methyl-N-[2-[2-(1-methylpyridin-1-ium-3-yl)-1H-indol-3-yl]ethyl]-2-oxidanylidene-pentanamide iodide Openeye Name: 3-methyl-N-[2-[2-(1-methylpyridin-1-ium-3-yl)-1H-indol-3-yl]ethyl]-2-oxo-pentanamide iodide CAS Name: 3-methyl-N-[2-[2-(1-methyl-3-pyridin-1-iumyl)-1H-indol-3-yl]ethyl]-2-oxopentanamide iodide IUPAC Name: 3-methyl-N-[2-[2-(1-methylpyridin-1-ium-3-yl)-1H-indol-3-yl]ethyl]-2-oxopentanamide iodide Traditional Name: 2-keto-3-methyl-N-[2-[2-(1-methylpyridin-1-ium-3-yl)-1H-indol-3-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)NCCC1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CCC(C)C(=O)C(=O)NCCC1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)C.[I-]

InChI

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