3-[6-azanyl-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[6-azanyl-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]propyl-dimethylammonium IUPAC Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]propyl-dimethylazanium Traditional Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-dimethyl-ammonium Formula: C20H20N9+ MolecularWeight: 386.4331

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

C[NH+](C)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C20H19N9/c1-28(2)8-5-9-29-18(23)16(19-25-12-6-3-4-7-13(12)26-19)17-20(29)27-15(11-22)14(10-21)24-17/h3-4,6-7H,5,8-9,23H2,1-2H3,(H,25,26)/p+1