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

Systemtic Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-bromophenyl)-1-(m-tolyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-bromophenyl)-1-(m-tolyl)-2-phenyl-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(=CC=C1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

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