N-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine

Systemtic Name: N-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine Openeye Name: N-[2-(2-methylisoindolin-2-ium-2-yl)ethyl]pentan-3-amine CAS Name: N-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]-3-pentanamine IUPAC Name: N-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]pentan-3-amine Traditional Name: 1-ethylpropyl-[2-(2-methylisoindolin-2-ium-2-yl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N2/c1-4-16(5-2)17-10-11-18(3)12-14-8-6-7-9-15(14)13-18/h6-9,16-17H,4-5,10-13H2,1-3H3/q+1