2,2-dimethyl-9-propoxy-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one

Systemtic Name: 2,2-dimethyl-9-propoxy-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one Openeye Name: 2,2-dimethyl-9-propoxy-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one CAS Name: 2,2-dimethyl-9-propoxy-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one IUPAC Name: 2,2-dimethyl-9-propoxy-1,4a-dihydropyrimido[6,1-a]isoindol-2-ium-6-one Traditional Name: 2,2-dimethyl-9-propoxy-1,4a-dihydropyrimid[6,1-a]isoindol-2-ium-6-one Formula: C16H21N2O2+ MolecularWeight: 273.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C=CC(=O)C=C2C3N1C[N+](C=C3)(C)C

Isomeric SMILES

CCCOC1=C2C=CC(=O)C=C2C3N1C[N+](C=C3)(C)C

InChI

InChI=1S/C16H21N2O2/c1-4-9-20-16-13-6-5-12(19)10-14(13)15-7-8-18(2,3)11-17(15)16/h5-8,10,15H,4,9,11H2,1-3H3/q+1