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

Systemtic Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propionitrile Formula: C14H19ClN3+ MolecularWeight: 264.77376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN3/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/q+1