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

Systemtic Name: 2-butyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]isoindoline-5-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-3-4-11-28-23(30)20-10-5-17(16-21(20)24(28)31)22(29)25-18-6-8-19(9-7-18)27-14-12-26(2)13-15-27/h5-10,16H,3-4,11-15H2,1-2H3,(H,25,29)/p+1