(2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-2-(4-bromophenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C26H29BrNO+ MolecularWeight: 451.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=CC=C2)[C@](CC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C26H28BrNO/c27-24-15-13-23(14-16-24)26(29,19-21-9-3-1-4-10-21)25(20-28-17-7-8-18-28)22-11-5-2-6-12-22/h1-6,9-16,25,29H,7-8,17-20H2/p+1/t25-,26+/m1/s1