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

Systemtic Name: 6,9-bis[3-(1-oxidanidylpiperidin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione Openeye Name: 6,9-bis[3-(1-oxidopiperidin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione CAS Name: 6,9-bis[3-(1-oxido-1-piperidin-1-iumyl)propylamino]benzo[g]isoquinoline-5,10-dione IUPAC Name: 6,9-bis[3-(1-oxidopiperidin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione Traditional Name: 6,9-bis[3-(1-oxidopiperidin-1-ium-1-yl)propylamino]benz[g]isoquinoline-5,10-quinone Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CCCCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCCNC2=C3C(=C(C=C2)NCCC[N+]4(CCCCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

InChI

InChI=1S/C29H39N5O4/c35-28-22-11-14-30-21-23(22)29(36)27-25(32-13-8-20-34(38)17-5-2-6-18-34)10-9-24(26(27)28)31-12-7-19-33(37)15-3-1-4-16-33/h9-11,14,21,31-32H,1-8,12-13,15-20H2