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

Systemtic Name: 2-[6-azanyl-2,3-dicyano-7-(1-ethylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-amino-2,3-dicyano-7-(1-ethylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-amino-2,3-dicyano-7-(1-ethyl-2-benzimidazolyl)-5-pyrrolo[2,3-b]pyrazinyl]ethyl-dimethylammonium IUPAC Name: 2-[6-amino-2,3-dicyano-7-(1-ethylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[6-amino-2,3-dicyano-7-(1-ethylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium Formula: C21H22N9+ MolecularWeight: 400.45968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC[NH+](C)C)N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC[NH+](C)C)N

InChI

InChI=1S/C21H21N9/c1-4-29-16-8-6-5-7-13(16)26-20(29)17-18-21(27-15(12-23)14(11-22)25-18)30(19(17)24)10-9-28(2)3/h5-8H,4,9-10,24H2,1-3H3/p+1