methyl-(2-oxidanyl-4-oxidanylidene-1H-1,8-naphthyridin-3-yl)-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfanium

Systemtic Name: methyl-(2-oxidanyl-4-oxidanylidene-1H-1,8-naphthyridin-3-yl)-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfanium Openeye Name: (2-hydroxy-4-oxo-1H-1,8-naphthyridin-3-yl)-methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonium CAS Name: (2-hydroxy-4-oxo-1H-1,8-naphthyridin-3-yl)-methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonium IUPAC Name: (2-hydroxy-4-oxo-1H-1,8-naphthyridin-3-yl)-methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfanium Traditional Name: (2-hydroxy-4-keto-1H-1,8-naphthyridin-3-yl)-methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonium Formula: C21H25N2O6S+ MolecularWeight: 433.498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCCC[S+](C)C2=C(NC3=C(C2=O)C=CC=N3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCCC[S+](C)C2=C(NC3=C(C2=O)C=CC=N3)O

InChI

InChI=1S/C21H24N2O6S/c1-26-15-11-13(12-16(27-2)18(15)28-3)29-9-6-10-30(4)19-17(24)14-7-5-8-22-20(14)23-21(19)25/h5,7-8,11-12H,6,9-10H2,1-4H3,(H-,22,23,24,25)/p+1