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

Systemtic Name: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide Openeye Name: 3-[1-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]propanenitrile iodide CAS Name: 3-[1-methyl-4-(2-methylphenyl)-1-piperazin-1-iumyl]propanenitrile iodide IUPAC Name: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide Traditional Name: 3-[1-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]propionitrile iodide Formula: C15H22IN3 MolecularWeight: 371.25975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[N+](CC2)(C)CCC#N.[I-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[N+](CC2)(C)CCC#N.[I-]

InChI

InChI=1S/C15H22N3.HI/c1-14-6-3-4-7-15(14)17-9-12-18(2,13-10-17)11-5-8-16;/h3-4,6-7H,5,9-13H2,1-2H3;1H/q+1;/p-1