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

Systemtic Name: 4-chloranyl-2,2-diethyl-1,3-dihydroisoindol-2-ium Openeye Name: 4-chloro-2,2-diethyl-isoindolin-2-ium CAS Name: 4-chloro-2,2-diethyl-1,3-dihydroisoindol-2-ium IUPAC Name: 4-chloro-2,2-diethyl-1,3-dihydroisoindol-2-ium Traditional Name: 4-chloro-2,2-diethyl-isoindolin-2-ium Formula: C12H17ClN+ MolecularWeight: 210.72308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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