4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-oxidanylidene-1-(3-oxidanylpropyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-oxidanylidene-1-(3-oxidanylpropyl)pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-(3-hydroxypropyl)-2-keto-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]nicotinonitrile Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-12-5-3-6-19(10-12)11-15-13(2)14(9-18)16(22)20(17(15)23)7-4-8-21/h12,21,23H,3-8,10-11H2,1-2H3/p+1/t12-/m1/s1