(2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenyl-piperidin-1-ium-4-one

Systemtic Name: (2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenyl-piperidin-1-ium-4-one Openeye Name: (2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenyl-piperidin-1-ium-4-one CAS Name: (2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenyl-4-piperidin-1-iumone IUPAC Name: (2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenylpiperidin-1-ium-4-one Traditional Name: (2R,3R,5R,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-diphenyl-piperidin-1-ium-4-one Formula: C33H36N3O+ MolecularWeight: 490.65844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(=O)C(C([NH2+]2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[C@H](C(=O)[C@@H]([C@@H]([NH2+]2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N3O/c1-35(2)27-19-15-25(16-20-27)31-29(23-11-7-5-8-12-23)33(37)30(24-13-9-6-10-14-24)32(34-31)26-17-21-28(22-18-26)36(3)4/h5-22,29-32,34H,1-4H3/p+1/t29-,30-,31+,32+/m1/s1