3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide

Systemtic Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide Openeye Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide CAS Name: 3-[4-(2-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanenitrile iodide IUPAC Name: 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanenitrile iodide Traditional Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propionitrile iodide Formula: C14H19ClIN3 MolecularWeight: 391.67823

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2Cl)CCC#N.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2Cl)CCC#N.[I-]

InChI

InChI=1S/C14H19ClN3.HI/c1-18(10-4-7-16)11-8-17(9-12-18)14-6-3-2-5-13(14)15;/h2-3,5-6H,4,8-12H2,1H3;1H/q+1;/p-1