Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
Basic information
- CAS
52-61-9- Standard SMILES
CC(=O)OC1CC[N+](C)(Cc2ccccc2)C1.[Br-]- InChIKey
WYDCXLIXKFFQFX-UHFFFAOYSA-M- Molecular formula
- C14H20BrNO2
- Average molar mass
- 314.22 g/mol
- Monoisotopic mass
- 313.06774
Names & identifiers
- Preferred name
- Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
- IUPAC
- (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) acetate bromide
- English name
- N-benzyl-3-pyrrolidylacetate methobromide
- Molecular weight
- 0
Names & synonyms
52-61-9AHR 602N-benzyl-3-pyrrolidylacetate Methobromide3-(Acetyloxy)-1-methyl-1-(phenylmethyl)pyrrolidinium, bromideRefChem:930407Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)3-Acetyloxy-1-benzyl-1-methylpyrrolidinium bromideAhr-602NSC 310214Pyrrolidinium, 3-acetyloxy-1-benzyl-1-methyl-, bromide1-Benzyl-3-hydroxy-1-methyl-pyrrolidinium bromide, acetateDTXSID30966322
Show more names
Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, acetateNSC310214Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromideNSC-310214WLN: T5KTJ A1R& A1 COV1 &E3-(ACETYLOXY)-1-BENZYL-1-METHYLPYRROLIDIN-1-IUM BROMIDE
Database identifiers
- CAS
52-61-9- PubChem CID
- 65515
- DTXSID
DTXSID30966322
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
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Related reactions
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Compound notes
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