2-[(2E,4E)-5-[1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxalin-3-ium-2-yl]penta-2,4-dienylidene]-1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxaline perchlorate

Systemtic Name: 2-[(2E,4E)-5-[1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxalin-3-ium-2-yl]penta-2,4-dienylidene]-1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxaline perchlorate Openeye Name: 2-[(2E,4E)-5-(1,3-diisobutylimidazo[4,5-b]quinoxalin-3-ium-2-yl)penta-2,4-dienylidene]-1,3-diisobutyl-imidazo[4,5-b]quinoxaline perchlorate CAS Name: 2-[(2E,4E)-5-[1,3-bis(2-methylpropyl)-2-imidazo[4,5-b]quinoxalin-3-iumyl]penta-2,4-dienylidene]-1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxaline perchlorate IUPAC Name: 2-[(2E,4E)-5-[1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxalin-3-ium-2-yl]penta-2,4-dienylidene]-1,3-bis(2-methylpropyl)imidazo[4,5-b]quinoxaline perchlorate Traditional Name: 2-[(2E,4E)-5-(1,3-diisobutylimidazo[4,5-b]quinoxalin-3-ium-2-yl)penta-2,4-dienylidene]-1,3-diisobutyl-imidazo[4,5-b]quinoxaline perchlorate Formula: C39H49ClN8O4 MolecularWeight: 729.31056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC(C)C)C=CC=CC=C4N(C5=NC6=CC=CC=C6N=C5N4CC(C)C)CC(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC(C)C)/C=C/C=C/C=C4N(C5=NC6=CC=CC=C6N=C5N4CC(C)C)CC(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H49N8.ClHO4/c1-26(2)22-44-34(45(23-27(3)4)37-36(44)40-30-16-12-13-17-31(30)41-37)20-10-9-11-21-35-46(24-28(5)6)38-39(47(35)25-29(7)8)43-33-19-15-14-18-32(33)42-38;2-1(3,4)5/h9-21,26-29H,22-25H2,1-8H3;(H,2,3,4,5)/q+1;/p-1