Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentyl-, bromide

HCID 48285

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Basic information

CAS: 66902-66-7
Standard SMILES: CCCCC[N+](C)(C)CC(C)c1c(C)c(C(C)=O)n2ccccc12.[Br-]
InChIKey: NIHDBMSFISHLLC-UHFFFAOYSA-M
Molecular formula: C21H33BrN2O
Average molar mass: 409.4 g/mol
Monoisotopic mass: 408.17763

Names & identifiers

Preferred name: Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentyl-, bromide
IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-pentylazanium bromide

Names & synonyms

66902-66-7(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromideAmmonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentyl-, bromideRefChem:318743N-(2-(3-Acetyl-2-methylindolizin-1-yl)propyl)-N,N-dimethylpentan-1-aminium bromideN-[2-(3-Acetyl-2-methylindolizin-1-yl)propyl]-N,N-dimethylpentan-1-aminium bromideDTXSID80985543N-(2-(3-Acetyl-2-methylindolizin-1-yl)propyl)-N,N-dimethylpentan-1-aminiumbromide

Database identifiers

CAS: 66902-66-7
PubChem CID: 48285
DTXSID: DTXSID80985543

Properties

Computed structural properties

Topological polar surface area: 21.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 420

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