3-(2-azanyl-3-cyano-pyrrolo[2,3-b]quinoxalin-9-ium-1-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(2-azanyl-3-cyano-pyrrolo[2,3-b]quinoxalin-9-ium-1-yl)propyl-dimethyl-azanium Openeye Name: 3-(2-amino-3-cyano-pyrrolo[2,3-b]quinoxalin-9-ium-1-yl)propyl-dimethyl-ammonium CAS Name: 3-(2-amino-3-cyano-1-pyrrolo[2,3-b]quinoxalin-9-iumyl)propyl-dimethylammonium IUPAC Name: 3-(2-amino-3-cyanopyrrolo[2,3-b]quinoxalin-9-ium-1-yl)propyl-dimethylazanium Traditional Name: 3-(2-amino-3-cyano-pyrrolo[2,3-b]quinoxalin-9-ium-1-yl)propyl-dimethyl-ammonium Formula: C16H20N6+2 MolecularWeight: 296.3702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3[NH+]=C21)C#N)N

Isomeric SMILES

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3[NH+]=C21)C#N)N

InChI

InChI=1S/C16H18N6/c1-21(2)8-5-9-22-15(18)11(10-17)14-16(22)20-13-7-4-3-6-12(13)19-14/h3-4,6-7H,5,8-9,18H2,1-2H3/p+2