1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidin-1-ium iodide

Systemtic Name: 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidin-1-ium iodide Openeye Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-methyl-pyrrolidin-1-ium iodide CAS Name: 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidin-1-ium iodide IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpyrrolidin-1-ium iodide Traditional Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-methyl-pyrrolidin-1-ium iodide Formula: C21H28INO MolecularWeight: 437.35759

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+]3(CCCC3)C.[I-]

Isomeric SMILES

CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+]3(CCCC3)C.[I-]

InChI

InChI=1S/C21H28NO.HI/c1-18(22(2)14-8-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-3-5-11-19;/h3-7,10-13,18H,8-9,14-17H2,1-2H3;1H/q+1;/p-1