2-[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)pyridin-4-ylidene]propanedinitrile

Systemtic Name: 2-[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)pyridin-4-ylidene]propanedinitrile Openeye Name: 2-[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-4-pyridylidene]propanedinitrile CAS Name: 2-[2,6-dimethyl-1-[2-(1-piperazin-4-iumyl)ethyl]-4-pyridinylidene]propanedinitrile IUPAC Name: 2-[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)pyridin-4-ylidene]propanedinitrile Traditional Name: 2-[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-4-pyridylidene]malononitrile Formula: C16H22N5+ MolecularWeight: 284.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C#N)C=C(N1CCN2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C#N)C#N)C=C(N1CCN2CC[NH2+]CC2)C

InChI

InChI=1S/C16H21N5/c1-13-9-15(16(11-17)12-18)10-14(2)21(13)8-7-20-5-3-19-4-6-20/h9-10,19H,3-8H2,1-2H3/p+1