(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1,1-dimethylpyrrolidinium fluorosulfonate

HCID 86747189
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Basic information

Standard SMILES
COc1ccc(CS[C@H]2C[C@@H](C(=O)N(C)C)[N+](C)(C)C2)cc1.O=S(=O)([O-])F
InChIKey
CKMMALFANMFPQD-MOGJOVFKSA-M
Molecular formula
C17H27FN2O5S2
Average molar mass
422.5 g/mol

Names & identifiers

Preferred name
(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1,1-dimethylpyrrolidinium fluorosulfonate

Names & synonyms

CKMMALFANMFPQD-MOGJOVFKSA-M(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1,1-dimethylpyrrolidinium fluorosulfonate

Database identifiers

PubChem CID
86747189

Properties

Computed structural properties

Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

Related reactions

1 records
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Linked notes

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