4-[(3-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide

Systemtic Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Openeye Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide CAS Name: 4-[(3-chlorophenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide IUPAC Name: 4-[(3-chlorophenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide Traditional Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Formula: C20H26ClIN2 MolecularWeight: 456.79131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C.[I-]

InChI

InChI=1S/C20H26ClN2.HI/c1-3-23(2)14-12-22(13-15-23)20(17-8-5-4-6-9-17)18-10-7-11-19(21)16-18;/h4-11,16,20H,3,12-15H2,1-2H3;1H/q+1;/p-1