1-ethyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium iodide

Systemtic Name: 1-ethyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium iodide Openeye Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-ethyl-piperidin-1-ium iodide CAS Name: 1-ethyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium iodide IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-ethylpiperidin-1-ium iodide Traditional Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-ethyl-piperidin-1-ium iodide Formula: C23H32INO MolecularWeight: 465.41075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H32NO.HI/c1-3-24(16-10-5-11-17-24)20(2)19-25-23-15-9-8-14-22(23)18-21-12-6-4-7-13-21;/h4,6-9,12-15,20H,3,5,10-11,16-19H2,1-2H3;1H/q+1;/p-1