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

Systemtic Name: 2-[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Openeye Name: 2-(1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide CAS Name: 2-[1-methyl-1-(phenylmethyl)-2-pyrrolidin-1-iumyl]-1,3-diphenyl-2-propanol iodide IUPAC Name: 2-(1-benzyl-1-methylpyrrolidin-1-ium-2-yl)-1,3-diphenylpropan-2-ol iodide Traditional Name: 2-(1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide Formula: C27H32INO MolecularWeight: 513.45355

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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=C4.[I-]

Isomeric SMILES

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H32NO.HI/c1-28(22-25-16-9-4-10-17-25)19-11-18-26(28)27(29,20-23-12-5-2-6-13-23)21-24-14-7-3-8-15-24;/h2-10,12-17,26,29H,11,18-22H2,1H3;1H/q+1;/p-1