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

Systemtic Name: 5-methyl-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-methyl-2-(2-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C14H15N2O2+ MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H14N2O2/c1-9-5-6-10-11(8-9)14(18)16(13(10)17)12-4-2-3-7-15-12/h2-5,7,10-11H,6,8H2,1H3/p+1