6,9-bis[3-(4-oxidanidylmorpholin-4-ium-4-yl)propylamino]benzo[g]isoquinoline-5,10-dione

Systemtic Name: 6,9-bis[3-(4-oxidanidylmorpholin-4-ium-4-yl)propylamino]benzo[g]isoquinoline-5,10-dione Openeye Name: 6,9-bis[3-(4-oxidomorpholin-4-ium-4-yl)propylamino]benzo[g]isoquinoline-5,10-dione CAS Name: 6,9-bis[3-(4-oxido-4-morpholin-4-iumyl)propylamino]benzo[g]isoquinoline-5,10-dione IUPAC Name: 6,9-bis[3-(4-oxidomorpholin-4-ium-4-yl)propylamino]benzo[g]isoquinoline-5,10-dione Traditional Name: 6,9-bis[3-(4-oxidomorpholin-4-ium-4-yl)propylamino]benz[g]isoquinoline-5,10-quinone Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CCOCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

Isomeric SMILES

C1COCC[N+]1(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CCOCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

InChI

InChI=1S/C27H35N5O6/c33-26-20-5-8-28-19-21(20)27(34)25-23(30-7-2-10-32(36)13-17-38-18-14-32)4-3-22(24(25)26)29-6-1-9-31(35)11-15-37-16-12-31/h3-5,8,19,29-30H,1-2,6-7,9-18H2