2-butyl-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-butyl-3H-isoindol-2-ium-1-amine Openeye Name: 2-butyl-3H-isoindol-2-ium-1-amine CAS Name: 2-butyl-3H-isoindol-2-ium-1-amine IUPAC Name: 2-butyl-3H-isoindol-2-ium-1-amine Traditional Name: (2-butyl-3H-isoindol-2-ium-1-yl)amine Formula: C12H17N2+ MolecularWeight: 189.27678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=CC=C2C1)N

Isomeric SMILES

CCCC[N+]1=C(C2=CC=CC=C2C1)N

InChI

InChI=1S/C12H16N2/c1-2-3-8-14-9-10-6-4-5-7-11(10)12(14)13/h4-7,13H,2-3,8-9H2,1H3/p+1