2-[6-azanyl-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)pyrrolo[2,3-b]pyrazin-5-ium-5-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[6-azanyl-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)pyrrolo[2,3-b]pyrazin-5-ium-5-yl]ethyl-diethyl-azanium Openeye Name: 2-[6-amino-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)pyrrolo[2,3-b]pyrazin-5-ium-5-yl]ethyl-diethyl-ammonium CAS Name: 2-[6-amino-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)-5-pyrrolo[2,3-b]pyrazin-5-iumyl]ethyl-diethylammonium IUPAC Name: 2-[6-amino-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)pyrrolo[2,3-b]pyrazin-5-ium-5-yl]ethyl-diethylazanium Traditional Name: 2-[6-amino-2,3-dicyano-7-(3-methyl-1H-benzimidazol-2-ylidene)pyrrolo[2,3-b]pyrazin-5-ium-5-yl]ethyl-diethyl-ammonium Formula: C22H25N9+2 MolecularWeight: 415.4942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C(=C2NC3=CC=CC=C3N2C)C4=NC(=C(N=C41)C#N)C#N)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C(=C2NC3=CC=CC=C3N2C)C4=NC(=C(N=C41)C#N)C#N)N

InChI

InChI=1S/C22H23N9/c1-4-30(5-2)10-11-31-20(25)18(19-22(31)28-16(13-24)15(12-23)26-19)21-27-14-8-6-7-9-17(14)29(21)3/h6-9H,4-5,10-11H2,1-3H3,(H2,25,26,27)/p+2