2,2-dimethyl-8-pentyl-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one

Systemtic Name: 2,2-dimethyl-8-pentyl-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one Openeye Name: 2,2-dimethyl-8-pentyl-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one CAS Name: 2,2-dimethyl-8-pentyl-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one IUPAC Name: 2,2-dimethyl-8-pentyl-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one Traditional Name: 8-amyl-2,2-dimethyl-1,4a-dihydropyrimid[6,1-a]isoindol-2-ium-6-one Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C=C2C1=CN3C2C=C[N+](C3)(C)C

Isomeric SMILES

CCCCCC1=CC(=O)C=C2C1=CN3C2C=C[N+](C3)(C)C

InChI

InChI=1S/C18H25N2O/c1-4-5-6-7-14-10-15(21)11-16-17(14)12-19-13-20(2,3)9-8-18(16)19/h8-12,18H,4-7,13H2,1-3H3/q+1