4-[(2S,3S)-3-oxidanyl-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-yl]phenol

Systemtic Name: 4-[(2S,3S)-3-oxidanyl-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-yl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-1-phenethyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-2,5-diphenyl-1-(1-piperidin-1-iumyl)pentan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-2,5-diphenyl-1-piperidin-1-ium-1-ylpentan-3-yl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-1-phenethyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C28H34NO2+ MolecularWeight: 416.57506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(CCC3=CC=CC=C3)(C4=CC=C(C=C4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@@](CCC3=CC=CC=C3)(C4=CC=C(C=C4)O)O

InChI

InChI=1S/C28H33NO2/c30-26-16-14-25(15-17-26)28(31,19-18-23-10-4-1-5-11-23)27(24-12-6-2-7-13-24)22-29-20-8-3-9-21-29/h1-2,4-7,10-17,27,30-31H,3,8-9,18-22H2/p+1/t27-,28-/m1/s1