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

Systemtic Name: (1S,2S)-1-(4-bromophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-bromophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-bromophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-bromophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-bromophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C26H29BrNO2+ MolecularWeight: 467.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1[C@@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H28BrNO2/c1-30-25-12-6-5-11-23(25)26(29,21-13-15-22(27)16-14-21)24(19-28-17-7-8-18-28)20-9-3-2-4-10-20/h2-6,9-16,24,29H,7-8,17-19H2,1H3/p+1/t24-,26+/m1/s1