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

Systemtic Name: 5-chloranyl-2-(3-quinolin-1-ium-1-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Openeye Name: 5-chloro-2-(3-quinolin-1-ium-1-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide CAS Name: 5-chloro-2-[3-(1-quinolin-1-iumyl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide IUPAC Name: 5-chloro-2-(3-quinolin-1-ium-1-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Traditional Name: 5-chloro-2-(3-quinolin-1-ium-1-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone bromide Formula: C20H20BrClN2O2 MolecularWeight: 435.742

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)CCC[N+]3=CC=CC4=CC=CC=C43)Cl.[Br-]

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)CCC[N+]3=CC=CC4=CC=CC=C43)Cl.[Br-]

InChI

InChI=1S/C20H20ClN2O2.BrH/c21-15-8-9-16-17(13-15)20(25)23(19(16)24)12-4-11-22-10-3-6-14-5-1-2-7-18(14)22;/h1-3,5-8,10,16-17H,4,9,11-13H2;1H/q+1;/p-1