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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H16NO3/c1-12-5-7-18(8-6-12)11-13-9-17(19)21-16-10-14(20-2)3-4-15(13)16/h3-10H,11H2,1-2H3/q+1