(2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one

Systemtic Name: (2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Openeye Name: (2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one CAS Name: (2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)-4-piperidin-1-iumone IUPAC Name: (2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Traditional Name: (2S,3R)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-10-12(18)6-7-17(2)15(10)11-8-13(19-3)16(21-5)14(9-11)20-4/h8-10,15H,6-7H2,1-5H3/p+1/t10-,15-/m0/s1