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

Systemtic Name: 5-chloranyl-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-(2-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-pyridin-1-ium-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C13H12ClN2O2+ MolecularWeight: 263.69958

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)C3=CC=CC=[NH+]3)Cl

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)C3=CC=CC=[NH+]3)Cl

InChI

InChI=1S/C13H11ClN2O2/c14-8-4-5-9-10(7-8)13(18)16(12(9)17)11-3-1-2-6-15-11/h1-4,6,9-10H,5,7H2/p+1