6,9-bis[2-(1-oxidanidylaziridin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione

Systemtic Name: 6,9-bis[2-(1-oxidanidylaziridin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione Openeye Name: 6,9-bis[2-(1-oxidoaziridin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione CAS Name: 6,9-bis[2-(1-oxido-1-aziridin-1-iumyl)ethylamino]benzo[g]isoquinoline-5,10-dione IUPAC Name: 6,9-bis[2-(1-oxidoaziridin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione Traditional Name: 6,9-bis[2-(1-oxidoethylenimin-1-ium-1-yl)ethylamino]benz[g]isoquinoline-5,10-quinone Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]1(CCNC2=C3C(=C(C=C2)NCC[N+]4(CC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

Isomeric SMILES

C1C[N+]1(CCNC2=C3C(=C(C=C2)NCC[N+]4(CC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

InChI

InChI=1S/C21H23N5O4/c27-20-14-3-4-22-13-15(14)21(28)19-17(24-6-8-26(30)11-12-26)2-1-16(18(19)20)23-5-7-25(29)9-10-25/h1-4,13,23-24H,5-12H2