Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 362.54932 [g/mol] Molecular Formula C22H38N2O2+2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 6 Exact Mass 362.293328 MonoIsotopic Mass 362.293328 Topological Polar Surface Area 26.3 Heavy Atom Count 26 Formal Charge 2 Complexity 505 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: trimethyl-[(1,1,3,
6-tetramethyl-4-phenyl-4-propanoyloxypiperidin-1-ium-3-yl)methyl]azanium
Canonical SMILES: CCC(=O)OC1(CC([N+](CC1(C)C[N+](C)(C)C)(C)C)C)C2=CC=CC=C2
InChI: InChI=1/C22H38N2O2/c1-9-20(25)26-22(19-13-11-10-12-14-19)15-18(2)24(7,
8)17-21(22,3)16-23(4,5)6/h10-14,18H,9,15-17H2,1-8H3/q+2
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