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

Systemtic Name: (2R,3R,5R,6R)-2,6-bis(4-methoxyphenyl)-3,5-diphenyl-piperidin-1-ium-4-one Openeye Name: (2R,3R,5R,6R)-2,6-bis(4-methoxyphenyl)-3,5-diphenyl-piperidin-1-ium-4-one CAS Name: (2R,3R,5R,6R)-2,6-bis(4-methoxyphenyl)-3,5-diphenyl-4-piperidin-1-iumone IUPAC Name: (2R,3R,5R,6R)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-1-ium-4-one Traditional Name: (2R,3R,5R,6R)-2,6-bis(4-methoxyphenyl)-3,5-diphenyl-piperidin-1-ium-4-one Formula: C31H30NO3+ MolecularWeight: 464.5748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C(C([NH2+]2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)[C@@H]([C@@H]([NH2+]2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO3/c1-34-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)31(33)28(22-11-7-4-8-12-22)30(32-29)24-15-19-26(35-2)20-16-24/h3-20,27-30,32H,1-2H3/p+1/t27-,28-,29+,30+/m1/s1