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

Systemtic Name: 6,9-bis[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione Openeye Name: 6,9-bis[2-(1-oxidopiperidin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione CAS Name: 6,9-bis[2-(1-oxido-1-piperidin-1-iumyl)ethylamino]benzo[g]isoquinoline-5,10-dione IUPAC Name: 6,9-bis[2-(1-oxidopiperidin-1-ium-1-yl)ethylamino]benzo[g]isoquinoline-5,10-dione Traditional Name: 6,9-bis[2-(1-oxidopiperidin-1-ium-1-yl)ethylamino]benz[g]isoquinoline-5,10-quinone Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCNC2=C3C(=C(C=C2)NCC[N+]4(CCCCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCNC2=C3C(=C(C=C2)NCC[N+]4(CCCCC4)[O-])C(=O)C5=C(C3=O)C=CN=C5)[O-]

InChI

InChI=1S/C27H35N5O4/c33-26-20-9-10-28-19-21(20)27(34)25-23(30-12-18-32(36)15-5-2-6-16-32)8-7-22(24(25)26)29-11-17-31(35)13-3-1-4-14-31/h7-10,19,29-30H,1-6,11-18H2