(2S,3R)-2,3,5-triphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3R)-2,3,5-triphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-2,3,5-triphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-2,3,5-triphenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-2,3,5-triphenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-2,3,5-triphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C28H34NO+ MolecularWeight: 400.57566

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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=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO/c30-28(26-17-9-3-10-18-26,20-19-24-13-5-1-6-14-24)27(25-15-7-2-8-16-25)23-29-21-11-4-12-22-29/h1-3,5-10,13-18,27,30H,4,11-12,19-23H2/p+1/t27-,28+/m1/s1