6-methoxy-3-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]chromen-2-one

Systemtic Name: 6-methoxy-3-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]chromen-2-one Openeye Name: 6-methoxy-3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]chromen-2-one CAS Name: 6-methoxy-3-[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]chromen-2-one Traditional Name: 6-methoxy-3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]coumarin Formula: C16H15N2O4+ MolecularWeight: 299.3013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O

InChI

InChI=1S/C16H15N2O4/c1-17-5-6-18(10-17)9-14(19)13-8-11-7-12(21-2)3-4-15(11)22-16(13)20/h3-8,10H,9H2,1-2H3/q+1