bis[5-(diethylamino)pentyl] 6-oxidanylidene-5H-phenanthridine-3,8-dicarboxylate dihydrochloride

Systemtic Name: bis[5-(diethylamino)pentyl] 6-oxidanylidene-5H-phenanthridine-3,8-dicarboxylate dihydrochloride Openeye Name: bis[5-(diethylamino)pentyl] 6-oxo-5H-phenanthridine-3,8-dicarboxylate dihydrochloride CAS Name: 6-oxo-5H-phenanthridine-3,8-dicarboxylic acid bis[5-(diethylamino)pentyl] ester dihydrochloride IUPAC Name: bis[5-(diethylamino)pentyl] 6-oxo-5H-phenanthridine-3,8-dicarboxylate dihydrochloride Traditional Name: 6-keto-5H-phenanthridine-3,8-dicarboxylic acid bis[5-(diethylamino)pentyl] ester dihydrochloride Formula: C33H49Cl2N3O5 MolecularWeight: 638.66526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCOC(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)C(=O)OCCCCCN(CC)CC)NC2=O.Cl.Cl

Isomeric SMILES

CCN(CC)CCCCCOC(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)C(=O)OCCCCCN(CC)CC)NC2=O.Cl.Cl

InChI

InChI=1S/C33H47N3O5.2ClH/c1-5-35(6-2)19-11-9-13-21-40-32(38)25-15-17-27-28-18-16-26(24-30(28)34-31(37)29(27)23-25)33(39)41-22-14-10-12-20-36(7-3)8-4;;/h15-18,23-24H,5-14,19-22H2,1-4H3,(H,34,37);2*1H