2-[[2,3-dimethoxy-5-(4-propylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2,3-dimethoxy-5-(4-propylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2,3-dimethoxy-5-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2,3-dimethoxy-5-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2,3-dimethoxy-5-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[2,3-dimethoxy-5-(4-propylpiperazin-4-ium-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O5/c1-4-9-26-10-12-27(13-11-26)23(29)17-14-18(22(33-3)21(15-17)32-2)16-28-24(30)19-7-5-6-8-20(19)25(28)31/h5-8,14-15H,4,9-13,16H2,1-3H3/p+1