3-[(2,4-dimethoxyphenyl)amino]-1-(1-oxidanylpyridin-1-ium-2-yl)but-3-en-2-one

Systemtic Name: 3-[(2,4-dimethoxyphenyl)amino]-1-(1-oxidanylpyridin-1-ium-2-yl)but-3-en-2-one Openeye Name: 3-(2,4-dimethoxyanilino)-1-(1-hydroxypyridin-1-ium-2-yl)but-3-en-2-one CAS Name: 3-(2,4-dimethoxyanilino)-1-(1-hydroxy-2-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: 3-(2,4-dimethoxyanilino)-1-(1-hydroxypyridin-1-ium-2-yl)but-3-en-2-one Traditional Name: 3-(2,4-dimethoxyanilino)-1-(1-hydroxypyridin-1-ium-2-yl)but-3-en-2-one Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=C)C(=O)CC2=CC=CC=[N+]2O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=C)C(=O)CC2=CC=CC=[N+]2O)OC

InChI

InChI=1S/C17H19N2O4/c1-12(16(20)10-13-6-4-5-9-19(13)21)18-15-8-7-14(22-2)11-17(15)23-3/h4-9,11,18,21H,1,10H2,2-3H3/q+1