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

Systemtic Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[1-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[1-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[1-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propionitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[N+](CC2)(C)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[N+](CC2)(C)CCC#N

InChI

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