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

Systemtic Name: 6,7-dimethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-methyl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-methylpyridin-1-ium-1-yl)methyl]coumarin Formula: C18H18NO2+ MolecularWeight: 280.34102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

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