2-(3-Acetyl-2-methylindolizin-1-yl)-N-benzyl-N,N-dimethylpropan-1-aminium chloride

HCID 48291

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Basic information

CAS: 66902-70-3
Standard SMILES: CC(=O)c1c(C)c(C(C)C[N+](C)(C)Cc2ccccc2)c2ccccn12.[Cl-]
InChIKey: XOTZLFMRISUFHJ-UHFFFAOYSA-M
Molecular formula: C23H29ClN2O
Average molar mass: 384.9 g/mol
Monoisotopic mass: 384.1968412

Names & identifiers

Preferred name: 2-(3-Acetyl-2-methylindolizin-1-yl)-N-benzyl-N,N-dimethylpropan-1-aminium chloride
IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-benzyl-dimethylazanium chloride

Names & synonyms

66902-70-3DTXSID609855462-(3-Acetyl-2-methylindolizin-1-yl)-N-benzyl-N,N-dimethylpropan-1-aminium chlorideRefChem:1061048DTXCID901412738Benzyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)ammonium chlorideAmmonium, benzyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, chloride

Database identifiers

CAS: 66902-70-3
PubChem CID: 48291
DTXSID: DTXSID60985546

Properties

Computed structural properties

Topological polar surface area: 21.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 483

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