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

Systemtic Name: 3-[1-(2-cyanopropyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: 3-[1-(2-cyanopropyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: 3-[1-(2-cyanopropyl)-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: 3-[1-(2-cyanopropyl)piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: 3-[1-(2-cyanopropyl)piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C12H21N4+ MolecularWeight: 221.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCNCC1)CC(C)C#N)C#N

Isomeric SMILES

CC(C[N+]1(CCNCC1)CC(C)C#N)C#N

InChI

InChI=1S/C12H21N4/c1-11(7-13)9-16(10-12(2)8-14)5-3-15-4-6-16/h11-12,15H,3-6,9-10H2,1-2H3/q+1