5-cyano-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxidanylidene-1-propyl-pyridin-2-olate

Systemtic Name: 5-cyano-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxidanylidene-1-propyl-pyridin-2-olate Openeye Name: 5-cyano-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxo-1-propyl-pyridin-2-olate CAS Name: 5-cyano-4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-6-oxo-1-propyl-2-pyridinolate IUPAC Name: 5-cyano-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxo-1-propylpyridin-2-olate Traditional Name: 5-cyano-6-keto-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-propyl-pyridin-2-olate Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C(C1=O)C#N)C)CN2CC[NH+](CC2)C)[O-]

Isomeric SMILES

CCCN1C(=C(C(=C(C1=O)C#N)C)CN2CC[NH+](CC2)C)[O-]

InChI

InChI=1S/C16H24N4O2/c1-4-5-20-15(21)13(10-17)12(2)14(16(20)22)11-19-8-6-18(3)7-9-19/h22H,4-9,11H2,1-3H3