2,2-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile iodide

Systemtic Name: 2,2-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile iodide Openeye Name: 2,2-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile iodide CAS Name: 2,2-dimethyl-4-(1-methyl-2-pyridin-1-iumyl)-1,3-benzoxazine-6-carbonitrile iodide IUPAC Name: 2,2-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile iodide Traditional Name: 2,2-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile iodide Formula: C17H16IN3O MolecularWeight: 405.23291

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3C)C.[I-]

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3C)C.[I-]

InChI

InChI=1S/C17H16N3O.HI/c1-17(2)19-16(14-6-4-5-9-20(14)3)13-10-12(11-18)7-8-15(13)21-17;/h4-10H,1-3H3;1H/q+1;/p-1