(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-1-ethyl-1-methyl-4-(4-methoxybenzylthio)pyrrolidinium fluorosulfonate

HCID 86745656
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Basic information

Standard SMILES
CC[N+]1(C)C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C(=O)N(C)C.O=S(=O)([O-])F
InChIKey
NNHANYAMQKVDCI-GARJMBETSA-M
Molecular formula
C18H29FN2O5S2
Average molar mass
436.6 g/mol

Names & identifiers

Preferred name
(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-1-ethyl-1-methyl-4-(4-methoxybenzylthio)pyrrolidinium fluorosulfonate

Names & synonyms

NNHANYAMQKVDCI-GARJMBETSA-M(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-1-ethyl-1-methyl-4-(4-methoxybenzylthio)pyrrolidinium fluorosulfonate

Database identifiers

PubChem CID
86745656

Properties

Computed structural properties

Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
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Compound notes

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