(2R,3R)-3-methyl-2-phenyl-piperidin-1-ium-4-one

Systemtic Name: (2R,3R)-3-methyl-2-phenyl-piperidin-1-ium-4-one Openeye Name: (2R,3R)-3-methyl-2-phenyl-piperidin-1-ium-4-one CAS Name: (2R,3R)-3-methyl-2-phenyl-4-piperidin-1-iumone IUPAC Name: (2R,3R)-3-methyl-2-phenylpiperidin-1-ium-4-one Traditional Name: (2R,3R)-3-methyl-2-phenyl-piperidin-1-ium-4-one Formula: C12H16NO+ MolecularWeight: 190.26154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]CCC1=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@@H]([NH2+]CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c1-9-11(14)7-8-13-12(9)10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3/p+1/t9-,12+/m0/s1