(2S,3S)-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3S)-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-one Openeye Name: (2S,3S)-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-one CAS Name: (2S,3S)-1,3-dimethyl-2-phenyl-4-piperidin-1-iumone IUPAC Name: (2S,3S)-1,3-dimethyl-2-phenylpiperidin-1-ium-4-one Traditional Name: (2S,3S)-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-one Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/p+1/t10-,13+/m1/s1