5-chloranyl-2-(2-pyridin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide

Systemtic Name: 5-chloranyl-2-(2-pyridin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Openeye Name: 5-chloro-2-(2-pyridin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide CAS Name: 5-chloro-2-[2-(1-pyridin-1-iumyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide IUPAC Name: 5-chloro-2-(2-pyridin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Traditional Name: 5-chloro-2-(2-pyridin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone bromide Formula: C15H16BrClN2O2 MolecularWeight: 371.65674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN2O2.BrH/c16-11-4-5-12-13(10-11)15(20)18(14(12)19)9-8-17-6-2-1-3-7-17;/h1-4,6-7,12-13H,5,8-10H2;1H/q+1;/p-1