methyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide

CAS: 57152-97-3

Molecular Formula	`C14H20BrNO2`
Molecular Weight	314.22 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	313.06775
Heavy Atoms	18
Complexity	261.0

Chemical Identifiers

CAS Number	57152-97-3
SMILES	`C[NH+]1CCC(C(C1)C(=O)OC)C2=CC=CC=C2.[Br-]`
InChIKey	`VAMFJUPPMIRVHZ-OJERSXHUSA-N`

📖 Product Overview

methyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide (CAS: 57152-97-3) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 314.22 g/mol. Its IUPAC systematic name is methyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 313.06775 Heavy Atoms 18 Complexity 261.0 InChI Key: VAMFJUPPMIRVHZ-OJERSXHUSA-N. SMILES: C[NH+]1CCC(C(C1)C(=O)OC)C2=CC=CC=C2.[Br-].

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