6-chloranyl-7-methyl-4-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C23H17ClNO3+ MolecularWeight: 390.83898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClNO3/c1-15-11-21-19(13-20(15)24)18(12-22(26)28-21)14-25-9-7-17(8-10-25)23(27)16-5-3-2-4-6-16/h2-13H,14H2,1H3/q+1