7-ethyl-4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]coumarin Formula: C17H16NO3+ MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C17H15NO3/c1-2-12-5-6-15-13(9-17(20)21-16(15)8-12)10-18-7-3-4-14(19)11-18/h3-9,11H,2,10H2,1H3/p+1