AC1MHFVH

2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium;4-methylbenzenesulfonate

Also Known As: Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate|1-Indolizineethanaminium, 3-acetyl-N-3-butynyl-N,N,.beta.,2-tetramethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-but-3-ynyl-dimethyl-azanium; 4-methylbenzenesulfonate|2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium; 4-methylbenzenesulfonate|N-[2-(3-Acetyl-2-methylindolizin-1-yl)propyl]-N,N-dimethylbut-3-yn-1-aminium 4-methylbenzene-1-sulfonate

Molecular Formula	C27H34N2O4S
Molecular Weight	482.22394 g/mol
LogP	4.55264
Topological Polar Surface Area	78.68 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	482.22394
Monoisotopic Mass	482.22394
Heavy Atoms	34
Complexity	1296.8889

Chemical Identifiers

CAS Number	66967-63-3
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CCC#C)C(=O)C