6,7-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-propyl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]coumarin Formula: C20H22NO2+ MolecularWeight: 308.39418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C20H22NO2/c1-4-5-16-6-8-21(9-7-16)13-17-12-20(22)23-19-11-15(3)14(2)10-18(17)19/h6-12H,4-5,13H2,1-3H3/q+1