(2S,3R,5S,6S)-2,6-bis(3-methoxy-2-oxidanyl-phenyl)-3,5-dimethyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3R,5S,6S)-2,6-bis(3-methoxy-2-oxidanyl-phenyl)-3,5-dimethyl-piperidin-1-ium-4-one Openeye Name: (2S,3R,5S,6S)-2,6-bis(2-hydroxy-3-methoxy-phenyl)-3,5-dimethyl-piperidin-1-ium-4-one CAS Name: (2S,3R,5S,6S)-2,6-bis(2-hydroxy-3-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-iumone IUPAC Name: (2S,3R,5S,6S)-2,6-bis(2-hydroxy-3-methoxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one Traditional Name: (2S,3R,5S,6S)-2,6-bis(2-hydroxy-3-methoxy-phenyl)-3,5-dimethyl-piperidin-1-ium-4-one Formula: C21H26NO5+ MolecularWeight: 372.43484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1=O)C)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

C[C@@H]1[C@H]([NH2+][C@@H]([C@@H](C1=O)C)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C21H25NO5/c1-11-17(13-7-5-9-15(26-3)20(13)24)22-18(12(2)19(11)23)14-8-6-10-16(27-4)21(14)25/h5-12,17-18,22,24-25H,1-4H3/p+1/t11-,12+,17-,18-/m0/s1