N-tert-butyl-2-[4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-butyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-butyl-1,3-diketo-isoindoline-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H32N4O4/c1-5-6-9-27-21(30)17-8-7-16(14-18(17)22(27)31)20(29)26-12-10-25(11-13-26)15-19(28)24-23(2,3)4/h7-8,14H,5-6,9-13,15H2,1-4H3,(H,24,28)/p+1