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

Systemtic Name: 7-ethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(4-methyl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]coumarin Formula: C18H18NO2+ MolecularWeight: 280.34102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2/c1-3-14-4-5-16-15(11-18(20)21-17(16)10-14)12-19-8-6-13(2)7-9-19/h4-11H,3,12H2,1-2H3/q+1