4-[(3-methylpyridin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(3-methylpyridin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(3-methylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-[(3-methyl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(3-methylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(3-methylpyridin-1-ium-1-yl)methyl]coumarin Formula: C16H14NO3+ MolecularWeight: 268.28726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO3/c1-11-3-2-6-17(9-11)10-12-7-16(19)20-15-8-13(18)4-5-14(12)15/h2-9H,10H2,1H3/p+1