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

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C19H20N4O2/c1-13-16(14(2)23(22-13)15-7-4-3-5-8-15)10-11-18(25)21-19-17(24)9-6-12-20-19/h3-9,12,24H,10-11H2,1-2H3,(H,20,21,25)/p+1