5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide

Systemtic Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Openeye Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide CAS Name: 5-methyl-2-phenyl-6-(1-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide IUPAC Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Traditional Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone bromide Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H19N2O2.BrH/c1-14-12-16-17(13-18(14)21-10-6-3-7-11-21)20(24)22(19(16)23)15-8-4-2-5-9-15;/h2-11,16-17H,12-13H2,1H3;1H/q+1;/p-1