3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[(isopentylammonio)methyl]-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-[(3-methylbutylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 8-[(isoamylammonio)methyl]-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-olate Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC(C)C)[O-])CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC(C)C)[O-])CC(=O)OC

InChI

InChI=1S/C19H25NO5/c1-11(2)7-8-20-10-15-16(21)6-5-13-12(3)14(9-17(22)24-4)19(23)25-18(13)15/h5-6,11,20-21H,7-10H2,1-4H3