2-[[2-(1-methylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(1-methylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(1-methylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(1-methyl-2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(1-methylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(1-methylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C24H22N3O2+ MolecularWeight: 384.45038

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C[N+]1=CC=CC=C1N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H22N3O2/c1-25-14-7-6-12-22(25)26-15-13-17-8-2-3-9-18(17)21(26)16-27-23(28)19-10-4-5-11-20(19)24(27)29/h2-12,14,21H,13,15-16H2,1H3/q+1