2-butyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]isoindoline-5-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C25H30N4O3/c1-4-5-10-29-24(31)20-8-6-18(16-21(20)25(29)32)23(30)26-22-9-7-19(15-17(22)2)28-13-11-27(3)12-14-28/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,26,30)/p+1