(2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-one

Systemtic Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-one Openeye Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(p-tolyl)piperidin-1-ium-4-one CAS Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(4-methylphenyl)-4-piperidin-1-iumone IUPAC Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-one Traditional Name: (2R,3R,5R,6R)-3,5-dimethyl-2,6-bis(p-tolyl)piperidin-1-ium-4-one Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-13-5-9-17(10-6-13)19-15(3)21(23)16(4)20(22-19)18-11-7-14(2)8-12-18/h5-12,15-16,19-20,22H,1-4H3/p+1/t15-,16-,19-,20-/m1/s1