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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanamide CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2/c1-11(2)10-21-13(4)14(12(3)20-21)7-8-16(23)19-17-15(22)6-5-9-18-17/h5-6,9,11,22H,7-8,10H2,1-4H3,(H,18,19,23)/p+1