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

Systemtic Name: 7-methoxy-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-methoxy-4-[(4-propyl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(4-propylpyridin-1-ium-1-yl)methyl]coumarin Formula: C19H20NO3+ MolecularWeight: 310.367

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C19H20NO3/c1-3-4-14-7-9-20(10-8-14)13-15-11-19(21)23-18-12-16(22-2)5-6-17(15)18/h5-12H,3-4,13H2,1-2H3/q+1