2-[2-methyl-3-(2-methylphenyl)propyl]-1-prop-2-enyl-1-propyl-pyrrolidin-1-ium bromide

Systemtic Name: 2-[2-methyl-3-(2-methylphenyl)propyl]-1-prop-2-enyl-1-propyl-pyrrolidin-1-ium bromide Openeye Name: 1-allyl-2-[2-methyl-3-(o-tolyl)propyl]-1-propyl-pyrrolidin-1-ium bromide CAS Name: 2-[2-methyl-3-(2-methylphenyl)propyl]-1-prop-2-enyl-1-propylpyrrolidin-1-ium bromide IUPAC Name: 2-[2-methyl-3-(2-methylphenyl)propyl]-1-prop-2-enyl-1-propylpyrrolidin-1-ium bromide Traditional Name: 1-allyl-2-[2-methyl-3-(o-tolyl)propyl]-1-propyl-pyrrolidin-1-ium bromide Formula: C21H34BrN MolecularWeight: 380.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC1CC(C)CC2=CC=CC=C2C)CC=C.[Br-]

Isomeric SMILES

CCC[N+]1(CCCC1CC(C)CC2=CC=CC=C2C)CC=C.[Br-]

InChI

InChI=1S/C21H34N.BrH/c1-5-13-22(14-6-2)15-9-12-21(22)17-18(3)16-20-11-8-7-10-19(20)4;/h5,7-8,10-11,18,21H,1,6,9,12-17H2,2-4H3;1H/q+1;/p-1