(2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C22H28BrFNO+ MolecularWeight: 421.366223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H27BrFNO/c1-2-22(26,18-8-10-19(23)11-9-18)21(16-25-14-4-3-5-15-25)17-6-12-20(24)13-7-17/h6-13,21,26H,2-5,14-16H2,1H3/p+1/t21-,22-/m1/s1