3-(1-methylbenzimidazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(1-methylbenzimidazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(1-methyl-2-benzimidazolyl)-1-[3-(4-morpholin-4-iumyl)propyl]-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(1-methylbenzimidazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(1-methylbenzimidazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H28N7O+ MolecularWeight: 442.53612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC5=CC=CC=C5N=C34)CCC[NH+]6CCOCC6)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC5=CC=CC=C5N=C34)CCC[NH+]6CCOCC6)N

InChI

InChI=1S/C25H27N7O/c1-30-20-10-5-4-9-19(20)29-24(30)21-22-25(28-18-8-3-2-7-17(18)27-22)32(23(21)26)12-6-11-31-13-15-33-16-14-31/h2-5,7-10H,6,11-16,26H2,1H3/p+1