6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-isobutyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-1-(2-methylpropyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-isobutyl-2-keto-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(C)C)C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(C)C)C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N4O/c1-12(2)11-20-13(3)9-15(14(10-17)16(20)21)19-7-5-18(4)6-8-19/h9,12H,5-8,11H2,1-4H3/p+1