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

Systemtic Name: 5-cyano-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxidanylidene-1-[(2S)-2-oxidanylpropyl]pyridin-2-olate Openeye Name: 5-cyano-1-[(2S)-2-hydroxypropyl]-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxo-pyridin-2-olate CAS Name: 5-cyano-1-[(2S)-2-hydroxypropyl]-4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-6-oxo-2-pyridinolate IUPAC Name: 5-cyano-1-[(2S)-2-hydroxypropyl]-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxopyridin-2-olate Traditional Name: 5-cyano-1-[(2S)-2-hydroxypropyl]-6-keto-4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]pyridin-2-olate Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CN2CC[NH+](CC2)C)[O-])CC(C)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CN2CC[NH+](CC2)C)[O-])C[C@H](C)O)C#N

InChI

InChI=1S/C16H24N4O3/c1-11(21)9-20-15(22)13(8-17)12(2)14(16(20)23)10-19-6-4-18(3)5-7-19/h11,21,23H,4-7,9-10H2,1-3H3/t11-/m0/s1