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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=CC=[N+]1CC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

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