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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH2+]CCC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CC1([C@@H]([NH2+]CCC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C16H23NO4/c1-16(2)13(18)6-7-17-15(16)10-8-11(19-3)14(21-5)12(9-10)20-4/h8-9,15,17H,6-7H2,1-5H3/p+1/t15-/m0/s1