1,1-dimethyl-4-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperazin-1-ium iodide

Systemtic Name: 1,1-dimethyl-4-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperazin-1-ium iodide Openeye Name: 4-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1,1-dimethyl-piperazin-1-ium iodide CAS Name: 1,1-dimethyl-4-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperazin-1-ium iodide IUPAC Name: 4-[1-(2-benzylphenoxy)propan-2-yl]-1,1-dimethylpiperazin-1-ium iodide Traditional Name: 4-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1,1-dimethyl-piperazin-1-ium iodide Formula: C22H31IN2O MolecularWeight: 466.39881

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C22H31N2O.HI/c1-19(23-13-15-24(2,3)16-14-23)18-25-22-12-8-7-11-21(22)17-20-9-5-4-6-10-20;/h4-12,19H,13-18H2,1-3H3;1H/q+1;/p-1