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

Systemtic Name: 1-(2-hydroxyethyl)-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-(2-hydroxyethyl)-2-keto-4-methyl-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]nicotinonitrile Formula: C16H24N3O3+ MolecularWeight: 306.38006

Click to see the large picture

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/p+1/t11-/m1/s1