N-(4-butyl-1-methyl-3-oxidanyl-2-oxidanylidene-pyridin-1-ium-1-yl)methanamide; N-(1-methyl-3-oxidanyl-2-oxidanylidene-pyridin-1-ium-1-yl)methanamide

Systemtic Name: N-(4-butyl-1-methyl-3-oxidanyl-2-oxidanylidene-pyridin-1-ium-1-yl)methanamide; N-(1-methyl-3-oxidanyl-2-oxidanylidene-pyridin-1-ium-1-yl)methanamide Openeye Name: N-(4-butyl-3-hydroxy-1-methyl-2-oxo-pyridin-1-ium-1-yl)formamide; N-(3-hydroxy-1-methyl-2-oxo-pyridin-1-ium-1-yl)formamide CAS Name: N-(4-butyl-3-hydroxy-1-methyl-2-oxo-1-pyridin-1-iumyl)formamide; N-(3-hydroxy-1-methyl-2-oxo-1-pyridin-1-iumyl)formamide IUPAC Name: N-(4-butyl-3-hydroxy-1-methyl-2-oxopyridin-1-ium-1-yl)formamide; N-(3-hydroxy-1-methyl-2-oxopyridin-1-ium-1-yl)formamide Traditional Name: N-(4-butyl-3-hydroxy-2-keto-1-methyl-pyridin-1-ium-1-yl)formamide; N-(3-hydroxy-2-keto-1-methyl-pyridin-1-ium-1-yl)formamide Formula: C18H26N4O6+2 MolecularWeight: 394.42224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)[N+](C=C1)(C)NC=O)O.C[N+]1(C=CC=C(C1=O)O)NC=O

Isomeric SMILES

CCCCC1=C(C(=O)[N+](C=C1)(C)NC=O)O.C[N+]1(C=CC=C(C1=O)O)NC=O

InChI

InChI=1S/C11H16N2O3.C7H8N2O3/c1-3-4-5-9-6-7-13(2,12-8-14)11(16)10(9)15;1-9(8-5-10)4-2-3-6(11)7(9)12/h6-8H,3-5H2,1-2H3,(H-,12,14,15);2-5H,1H3,(H-,8,10,11)/p+2