6,9-bis[3-(1-oxidanidylaziridin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione

Systemtic Name: 6,9-bis[3-(1-oxidanidylaziridin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione Openeye Name: 6,9-bis[3-(1-oxidoaziridin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione CAS Name: 6,9-bis[3-(1-oxido-1-aziridin-1-iumyl)propylamino]benzo[g]isoquinoline-5,10-dione IUPAC Name: 6,9-bis[3-(1-oxidoaziridin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione Traditional Name: 6,9-bis[3-(1-oxidoethylenimin-1-ium-1-yl)propylamino]benz[g]isoquinoline-5,10-quinone Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]1(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

Isomeric SMILES

C1C[N+]1(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

InChI

InChI=1S/C23H27N5O4/c29-22-16-5-8-24-15-17(16)23(30)21-19(26-7-2-10-28(32)13-14-28)4-3-18(20(21)22)25-6-1-9-27(31)11-12-27/h3-5,8,15,25-26H,1-2,6-7,9-14H2