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

Systemtic Name: (2S,3S)-2,3-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (2S,3S)-1-benzyl-2,3-dimethyl-piperidin-1-ium-4-one CAS Name: (2S,3S)-2,3-dimethyl-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (2S,3S)-1-benzyl-2,3-dimethylpiperidin-1-ium-4-one Traditional Name: (2S,3S)-1-benzyl-2,3-dimethyl-piperidin-1-ium-4-one Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)CC2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1[C@@H]([NH+](CCC1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C14H19NO/c1-11-12(2)15(9-8-14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/p+1/t11-,12-/m0/s1