4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(2,3-dimethyl-1-pyridin-1-iumyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H24NO2+ MolecularWeight: 322.42076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO2/c1-13(2)18-11-19-17(10-21(23)24-20(19)9-15(18)4)12-22-8-6-7-14(3)16(22)5/h6-11,13H,12H2,1-5H3/q+1