2-[(E)-3-chloranylbut-2-enyl]-2-methyl-1,3-dihydroisoindol-2-ium

Systemtic Name: 2-[(E)-3-chloranylbut-2-enyl]-2-methyl-1,3-dihydroisoindol-2-ium Openeye Name: 2-[(E)-3-chlorobut-2-enyl]-2-methyl-isoindolin-2-ium CAS Name: 2-[(E)-3-chlorobut-2-enyl]-2-methyl-1,3-dihydroisoindol-2-ium IUPAC Name: 2-[(E)-3-chlorobut-2-enyl]-2-methyl-1,3-dihydroisoindol-2-ium Traditional Name: 2-[(E)-3-chlorobut-2-enyl]-2-methyl-isoindolin-2-ium Formula: C13H17ClN+ MolecularWeight: 222.73378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CC2=CC=CC=C2C1)C)Cl

Isomeric SMILES

C/C(=C\C[N+]1(CC2=CC=CC=C2C1)C)/Cl

InChI

InChI=1S/C13H17ClN/c1-11(14)7-8-15(2)9-12-5-3-4-6-13(12)10-15/h3-7H,8-10H2,1-2H3/q+1/b11-7+