2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(3-hydroxy-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C16H22N4O2/c1-10(2)9-20-12(4)13(11(3)19-20)8-15(22)18-16-14(21)6-5-7-17-16/h5-7,10,21H,8-9H2,1-4H3,(H,17,18,22)/p+1