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

Systemtic Name: 1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-(2-hydroxyethyl)-2-keto-4-methyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]nicotinonitrile Formula: C15H24N4O3+2 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c1-11-12(9-16)14(21)19(7-8-20)15(22)13(11)10-18-5-3-17(2)4-6-18/h20,22H,3-8,10H2,1-2H3/p+2