2-[4-(cyanomethyl)-4-methyl-piperazin-4-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(cyanomethyl)-4-methyl-piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(cyanomethyl)-4-methyl-piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-(cyanomethyl)-4-methyl-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-(cyanomethyl)-4-methylpiperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-(cyanomethyl)-4-methyl-piperazin-4-ium-1-yl]acetonitrile Formula: C9H15N4+ MolecularWeight: 179.2422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC#N)CC#N

Isomeric SMILES

C[N+]1(CCN(CC1)CC#N)CC#N

InChI

InChI=1S/C9H15N4/c1-13(7-3-11)8-5-12(4-2-10)6-9-13/h4-9H2,1H3/q+1