6-chloranyl-4-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(3-acetyl-1-pyridin-1-iumyl)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C18H15ClNO3+ MolecularWeight: 328.7696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClNO3/c1-11-6-17-15(8-16(11)19)14(7-18(22)23-17)10-20-5-3-4-13(9-20)12(2)21/h3-9H,10H2,1-2H3/q+1