(2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-2,3-bis(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C27H30F2NO+ MolecularWeight: 422.530006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=C(C=C2)F)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=C(C=C2)F)[C@](CC3=CC=CC=C3)(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C27H29F2NO/c28-24-13-9-22(10-14-24)26(20-30-17-5-2-6-18-30)27(31,19-21-7-3-1-4-8-21)23-11-15-25(29)16-12-23/h1,3-4,7-16,26,31H,2,5-6,17-20H2/p+1/t26-,27+/m1/s1