4-(2,5-dimethylphenyl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-(2,5-dimethylphenyl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxo-butanamide CAS Name: 4-(2,5-dimethylphenyl)-N-(3-hydroxy-2-pyridin-1-iumyl)-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxobutanamide Traditional Name: 4-(2,5-dimethylphenyl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-keto-butyramide Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C17H18N2O3/c1-11-5-6-12(2)13(10-11)14(20)7-8-16(22)19-17-15(21)4-3-9-18-17/h3-6,9-10,21H,7-8H2,1-2H3,(H,18,19,22)/p+1