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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC[NH+](C)C)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC[NH+](C)C)N

InChI

InChI=1S/C20H19N9/c1-27(2)8-9-29-18(23)16(17-20(29)26-14(11-22)13(10-21)24-17)19-25-12-6-4-5-7-15(12)28(19)3/h4-7H,8-9,23H2,1-3H3/p+1