1,2-dimethyl-6-nitro-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium iodide

Systemtic Name: 1,2-dimethyl-6-nitro-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium iodide Openeye Name: 1,2-dimethyl-6-nitro-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium iodide CAS Name: 1,2-dimethyl-6-nitro-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium iodide IUPAC Name: 1,2-dimethyl-6-nitro-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium iodide Traditional Name: 1,2-dimethyl-6-nitro-4a,9-dihydropyrimid[6,1-a]isoindol-10-ium iodide Formula: C13H14IN3O2 MolecularWeight: 371.17363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2CC3=C(C2C=CN1C)C=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=[N+]2CC3=C(C2C=CN1C)C=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H14N3O2.HI/c1-9-14(2)6-5-13-12-7-11(16(17)18)4-3-10(12)8-15(9)13;/h3-7,13H,8H2,1-2H3;1H/q+1;/p-1