4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-1-prop-2-enyl-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-1-prop-2-enyl-pyridine-3-carbonitrile Openeye Name: 1-allyl-6-hydroxy-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-4-methyl-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-oxo-1-prop-2-enyl-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-1-prop-2-enylpyridine-3-carbonitrile Traditional Name: 1-allyl-6-hydroxy-2-keto-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]nicotinonitrile Formula: C16H24N4O2+2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CC[NH+](CC2)C)O)CC=C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CC[NH+](CC2)C)O)CC=C)C#N

InChI

InChI=1S/C16H22N4O2/c1-4-5-20-15(21)13(10-17)12(2)14(16(20)22)11-19-8-6-18(3)7-9-19/h4,22H,1,5-9,11H2,2-3H3/p+2