3-azanyl-N'-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-1H-quinoxalin-4-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N'-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-1H-quinoxalin-4-ium-2-carboximidamide Openeye Name: 3-amino-N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboxamidine CAS Name: 3-amino-N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboximidamide IUPAC Name: 3-amino-N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-1H-quinoxalin-4-ium-2-carboximidamide Traditional Name: 3-amino-N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4-keto-1H-quinoxalin-4-ium-2-carboxamidine Formula: C17H14BrN6O3+ MolecularWeight: 430.23546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN=C(C3=C([N+](=O)C4=CC=CC=C4N3)N)N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\N=C(C3=C([N+](=O)C4=CC=CC=C4N3)N)N)Br

InChI

InChI=1S/C17H14BrN6O3/c18-10-6-14-13(26-8-27-14)5-9(10)7-21-23-16(19)15-17(20)24(25)12-4-2-1-3-11(12)22-15/h1-7H,8,20H2,(H2,19,23)(H,22,25)/q+1/b21-7-