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

Systemtic Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanylidene-pyridin-2-olate Openeye Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxo-pyridin-2-olate CAS Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-oxo-2-pyridinolate IUPAC Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxopyridin-2-olate Traditional Name: 5-cyano-1-(2-hydroxyethyl)-6-keto-4-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]pyridin-2-olate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(N(C(=O)C(=C2C)C#N)CCO)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(N(C(=O)C(=C2C)C#N)CCO)[O-]

InChI

InChI=1S/C16H23N3O3/c1-11-4-3-5-18(9-11)10-14-12(2)13(8-17)15(21)19(6-7-20)16(14)22/h11,20,22H,3-7,9-10H2,1-2H3/t11-/m0/s1