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

Systemtic Name: 4-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-7-ethyl-chromen-2-one CAS Name: 4-[(3-acetyl-1-pyridin-1-iumyl)methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-7-ethylchromen-2-one Traditional Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-7-ethyl-coumarin Formula: C19H18NO3+ MolecularWeight: 308.35112

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO3/c1-3-14-6-7-17-16(10-19(22)23-18(17)9-14)12-20-8-4-5-15(11-20)13(2)21/h4-11H,3,12H2,1-2H3/q+1