(1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-ethylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C28H34NO+ MolecularWeight: 400.57566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO/c1-2-23-16-18-26(19-17-23)28(30,25-14-8-4-9-15-25)27(24-12-6-3-7-13-24)22-29-20-10-5-11-21-29/h3-4,6-9,12-19,27,30H,2,5,10-11,20-22H2,1H3/p+1/t27-,28+/m1/s1