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

Systemtic Name: 4,6-dimethyl-2-[(1-methylpyridin-1-ium-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide Openeye Name: 4,6-dimethyl-2-[(1-methylpyridin-1-ium-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide CAS Name: 4,6-dimethyl-2-[(1-methyl-3-pyridin-1-iumyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide IUPAC Name: 4,6-dimethyl-2-[(1-methylpyridin-1-ium-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione iodide Traditional Name: 4,6-dimethyl-2-[(1-methylpyridin-1-ium-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone iodide Formula: C17H21IN2O2 MolecularWeight: 412.26531

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CC2C1C(=O)N(C2=O)CC3=C[N+](=CC=C3)C)C.[I-]

Isomeric SMILES

CC1C=C(CC2C1C(=O)N(C2=O)CC3=C[N+](=CC=C3)C)C.[I-]

InChI

InChI=1S/C17H21N2O2.HI/c1-11-7-12(2)15-14(8-11)16(20)19(17(15)21)10-13-5-4-6-18(3)9-13;/h4-7,9,12,14-15H,8,10H2,1-3H3;1H/q+1;/p-1