4,6-dimethyl-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[4-(2-methylallyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4/c1-12(2)11-19-5-7-20(8-6-19)16-15(10-17)13(3)9-14(4)18-16/h9H,1,5-8,11H2,2-4H3/p+1