(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-1-ium-4-one Openeye Name: (2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-1-ium-4-one CAS Name: (2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-piperidin-1-iumone IUPAC Name: (2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-1-ium-4-one Traditional Name: (2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-1-ium-4-one Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1[C@H]([NH2+][C@H](CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23NO3/c1-13-19(22)12-18(14-4-8-16(23-2)9-5-14)21-20(13)15-6-10-17(24-3)11-7-15/h4-11,13,18,20-21H,12H2,1-3H3/p+1/t13-,18+,20-/m0/s1