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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-4-methyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C23H30BrFNO+ MolecularWeight: 435.392803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrFNO/c1-17(2)23(27,19-8-10-20(24)11-9-19)22(16-26-14-4-3-5-15-26)18-6-12-21(25)13-7-18/h6-13,17,22,27H,3-5,14-16H2,1-2H3/p+1/t22-,23-/m1/s1