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

Systemtic Name: 2,2-diethyl-4-methyl-1,3-dihydroisoindol-2-ium bromide Openeye Name: 2,2-diethyl-4-methyl-isoindolin-2-ium bromide CAS Name: 2,2-diethyl-4-methyl-1,3-dihydroisoindol-2-ium bromide IUPAC Name: 2,2-diethyl-4-methyl-1,3-dihydroisoindol-2-ium bromide Traditional Name: 2,2-diethyl-4-methyl-isoindolin-2-ium bromide Formula: C13H20BrN MolecularWeight: 270.2086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N.BrH/c1-4-14(5-2)9-12-8-6-7-11(3)13(12)10-14;/h6-8H,4-5,9-10H2,1-3H3;1H/q+1;/p-1