2,3-bis(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoxaline-6-carboxamide

Systemtic Name: 2,3-bis(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoxaline-6-carboxamide Openeye Name: 2,3-bis(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoxaline-6-carboxamide CAS Name: 2,3-bis(4-methoxyphenyl)-N-(3-pyridin-1-iumylmethyl)-6-quinoxalinecarboxamide IUPAC Name: 2,3-bis(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoxaline-6-carboxamide Traditional Name: 2,3-bis(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoxaline-6-carboxamide Formula: C29H25N4O3+ MolecularWeight: 477.5338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC4=C[NH+]=CC=C4)N=C2C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC4=C[NH+]=CC=C4)N=C2C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H24N4O3/c1-35-23-10-5-20(6-11-23)27-28(21-7-12-24(36-2)13-8-21)33-26-16-22(9-14-25(26)32-27)29(34)31-18-19-4-3-15-30-17-19/h3-17H,18H2,1-2H3,(H,31,34)/p+1