1-[3-(2-chloranylphenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide

Systemtic Name: 1-[3-(2-chloranylphenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide Openeye Name: 1-[3-(2-chlorophenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide CAS Name: 1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide IUPAC Name: 1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide Traditional Name: 1-[3-(2-chlorophenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide Formula: C22H29ClINO MolecularWeight: 485.82923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl.[I-]

Isomeric SMILES

CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl.[I-]

InChI

InChI=1S/C22H29ClNO.HI/c1-18-10-8-9-16-24(18,2)17-15-21(19-11-4-3-5-12-19)25-22-14-7-6-13-20(22)23;/h3-7,11-14,18,21H,8-10,15-17H2,1-2H3;1H/q+1;/p-1