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

Systemtic Name: 2-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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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)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-4-6-11-30-25(32)21-9-7-19(17-22(21)26(30)33)24(31)27-23-10-8-20(16-18(23)3)29-14-12-28(5-2)13-15-29/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,27,31)/p+1