3-[2-azanyl-3-(1,3-dihydrobenzimidazol-2-ylidene)pyrrolo[3,2-b]quinoxalin-1-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-(1,3-dihydrobenzimidazol-2-ylidene)pyrrolo[3,2-b]quinoxalin-1-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(1,3-dihydrobenzimidazol-2-ylidene)pyrrolo[3,2-b]quinoxalin-1-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-pyrrolo[3,2-b]quinoxalin-1-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(1,3-dihydrobenzimidazol-2-ylidene)pyrrolo[3,2-b]quinoxalin-1-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-(1,3-dihydrobenzimidazol-2-ylidene)pyrrolo[3,2-b]quinoxalin-1-ium-1-yl]propyl-dimethyl-ammonium Formula: C22H25N7+2 MolecularWeight: 387.4808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=C(C(=C2NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N=C41)N

Isomeric SMILES

C[NH+](C)CCC[N+]1=C(C(=C2NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N=C41)N

InChI

InChI=1S/C22H23N7/c1-28(2)12-7-13-29-20(23)18(21-25-15-9-4-5-10-16(15)26-21)19-22(29)27-17-11-6-3-8-14(17)24-19/h3-6,8-11H,7,12-13H2,1-2H3,(H3,23,24,25,26,27)/p+2