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

Systemtic Name: methyl (3S,4S)-1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide Openeye Name: methyl (3S,4S)-1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide CAS Name: (3S,4S)-1-methyl-4-phenyl-3-piperidin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide Traditional Name: (3S,4S)-1-methyl-4-phenyl-piperidin-1-ium-3-carboxylic acid methyl ester bromide Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)C(=O)OC)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[NH+]1CC[C@@H]([C@@H](C1)C(=O)OC)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H19NO2.BrH/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2;/h3-7,12-13H,8-10H2,1-2H3;1H/t12-,13-;/m1./s1