2-[1-[(2-bromophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide

Systemtic Name: 2-[1-[(2-bromophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Openeye Name: 2-[1-[(2-bromophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide CAS Name: 2-[1-[(2-bromophenyl)methyl]-1-methyl-2-pyrrolidin-1-iumyl]-1,3-diphenyl-2-propanol iodide IUPAC Name: 2-[1-[(2-bromophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide Traditional Name: 2-[1-(2-bromobenzyl)-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Formula: C27H31BrINO MolecularWeight: 592.34961

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4Br.[I-]

Isomeric SMILES

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4Br.[I-]

InChI

InChI=1S/C27H31BrNO.HI/c1-29(21-24-15-8-9-16-25(24)28)18-10-17-26(29)27(30,19-22-11-4-2-5-12-22)20-23-13-6-3-7-14-23;/h2-9,11-16,26,30H,10,17-21H2,1H3;1H/q+1;/p-1