1-[(3,4-dimethoxyphenyl)methoxy]-4-oxidanidyl-3-thiophen-2-yl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methoxy]-4-oxidanidyl-3-thiophen-2-yl-quinoxalin-4-ium-2-one Openeye Name: 1-[(3,4-dimethoxyphenyl)methoxy]-4-oxido-3-(2-thienyl)quinoxalin-4-ium-2-one CAS Name: 1-[(3,4-dimethoxyphenyl)methoxy]-4-oxido-3-thiophen-2-yl-2-quinoxalin-4-iumone IUPAC Name: 1-[(3,4-dimethoxyphenyl)methoxy]-4-oxido-3-thiophen-2-ylquinoxalin-4-ium-2-one Traditional Name: 4-oxido-3-(2-thienyl)-1-veratryloxy-quinoxalin-4-ium-2-one Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CS4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CS4)[O-])OC

InChI

InChI=1S/C21H18N2O5S/c1-26-17-10-9-14(12-18(17)27-2)13-28-23-16-7-4-3-6-15(16)22(25)20(21(23)24)19-8-5-11-29-19/h3-12H,13H2,1-2H3