4,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide

Systemtic Name: 4,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide Openeye Name: 4,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide CAS Name: 4,6-dimethyl-2-(1-methyl-3-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide IUPAC Name: 4,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide Traditional Name: 4,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone iodide Formula: C16H19IN2O2 MolecularWeight: 398.23873

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CC2C1C(=O)N(C2=O)C3=C[N+](=CC=C3)C)C.[I-]

Isomeric SMILES

CC1C=C(CC2C1C(=O)N(C2=O)C3=C[N+](=CC=C3)C)C.[I-]

InChI

InChI=1S/C16H19N2O2.HI/c1-10-7-11(2)14-13(8-10)15(19)18(16(14)20)12-5-4-6-17(3)9-12;/h4-7,9,11,13-14H,8H2,1-3H3;1H/q+1;/p-1