7-chloranyl-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide

Systemtic Name: 7-chloranyl-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide Openeye Name: 7-chloro-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide CAS Name: 7-chloro-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide IUPAC Name: 7-chloro-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide Traditional Name: 7-chloro-2,2-diethyl-1,3,3a,4-tetrahydroisoindol-2-ium bromide Formula: C12H19BrClN MolecularWeight: 292.64296

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2CC=CC(=C2C1)Cl)CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2CC=CC(=C2C1)Cl)CC.[Br-]

InChI

InChI=1S/C12H19ClN.BrH/c1-3-14(4-2)8-10-6-5-7-12(13)11(10)9-14;/h5,7,10H,3-4,6,8-9H2,1-2H3;1H/q+1;/p-1