(1R,2S)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1R,2S)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-bromophenyl)-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-bromophenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-bromophenyl)-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C26H29BrNO+ MolecularWeight: 451.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H28BrNO/c1-20-9-11-22(12-10-20)26(29,23-13-15-24(27)16-14-23)25(19-28-17-5-6-18-28)21-7-3-2-4-8-21/h2-4,7-16,25,29H,5-6,17-19H2,1H3/p+1/t25-,26-/m1/s1