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

Systemtic Name: (2S,3S)-2-(4-bromophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-bromophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-bromophenyl)-3-(4-fluorophenyl)-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-bromophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-bromophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C21H26BrFNO+ MolecularWeight: 407.339643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrFNO/c1-21(25,17-7-9-18(22)10-8-17)20(15-24-13-3-2-4-14-24)16-5-11-19(23)12-6-16/h5-12,20,25H,2-4,13-15H2,1H3/p+1/t20-,21-/m1/s1