4-chloranyl-2,2-diethyl-1,3-dihydroisoindol-2-ium bromide

Systemtic Name: 4-chloranyl-2,2-diethyl-1,3-dihydroisoindol-2-ium bromide Openeye Name: 4-chloro-2,2-diethyl-isoindolin-2-ium bromide CAS Name: 4-chloro-2,2-diethyl-1,3-dihydroisoindol-2-ium bromide IUPAC Name: 4-chloro-2,2-diethyl-1,3-dihydroisoindol-2-ium bromide Traditional Name: 4-chloro-2,2-diethyl-isoindolin-2-ium bromide Formula: C12H17BrClN MolecularWeight: 290.62708

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=C(C1)C(=CC=C2)Cl)CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2=C(C1)C(=CC=C2)Cl)CC.[Br-]

InChI

InChI=1S/C12H17ClN.BrH/c1-3-14(4-2)8-10-6-5-7-12(13)11(10)9-14;/h5-7H,3-4,8-9H2,1-2H3;1H/q+1;/p-1