1,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1,6-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-1,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C13H19N4O+ MolecularWeight: 247.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C)C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1C)C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N4O/c1-10-8-12(11(9-14)13(18)16(10)3)17-6-4-15(2)5-7-17/h8H,4-7H2,1-3H3/p+1