(2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-piperidin-1-ium-4-one Openeye Name: (2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-piperidin-1-ium-4-one CAS Name: (2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-4-piperidin-1-iumone IUPAC Name: (2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-1-ium-4-one Traditional Name: (2S,3R)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-piperidin-1-ium-4-one Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)CCC2=C(C=C(C=C2)OC)OC)C

Isomeric SMILES

C[C@@H]1[C@@H]([NH+](CCC1=O)CCC2=C(C=C(C=C2)OC)OC)C

InChI

InChI=1S/C17H25NO3/c1-12-13(2)18(10-8-16(12)19)9-7-14-5-6-15(20-3)11-17(14)21-4/h5-6,11-13H,7-10H2,1-4H3/p+1/t12-,13+/m1/s1