2-(3-ethanoyl-2-methyl-indolizin-1-yl)propyl-hexyl-dimethyl-azanium bromide

Systemtic Name: 2-(3-ethanoyl-2-methyl-indolizin-1-yl)propyl-hexyl-dimethyl-azanium bromide Openeye Name: 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-hexyl-dimethyl-ammonium bromide CAS Name: 2-(3-acetyl-2-methyl-1-indolizinyl)propyl-hexyl-dimethylammonium bromide IUPAC Name: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-hexyl-dimethylazanium bromide Traditional Name: 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-hexyl-dimethyl-ammonium bromide Formula: C22H35BrN2O MolecularWeight: 423.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[Br-]

InChI

InChI=1S/C22H35N2O.BrH/c1-7-8-9-12-15-24(5,6)16-17(2)21-18(3)22(19(4)25)23-14-11-10-13-20(21)23;/h10-11,13-14,17H,7-9,12,15-16H2,1-6H3;1H/q+1;/p-1