4,6-dimethyl-2-piperazin-4-ium-1-yl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(1-piperazin-4-iumyl)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-piperazin-4-ium-1-ylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-nicotinonitrile Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH2+]CC2)C

InChI

InChI=1S/C12H16N4/c1-9-7-10(2)15-12(11(9)8-13)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3/p+1