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

Systemtic Name: propyl (3S,4S)-1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide Openeye Name: propyl (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 propyl ester bromide IUPAC Name: propyl (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 propyl ester bromide Formula: C16H24BrNO2 MolecularWeight: 342.27126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C[NH+](CCC1C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2.BrH/c1-3-11-19-16(18)15-12-17(2)10-9-14(15)13-7-5-4-6-8-13;/h4-8,14-15H,3,9-12H2,1-2H3;1H/t14-,15-;/m1./s1