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

Systemtic Name: 2-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(1,3-dioxoisoindolin-2-yl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-phthalimidobutanoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H30N4O4/c1-22(2,3)23-18(27)15-24-11-13-25(14-12-24)19(28)9-6-10-26-20(29)16-7-4-5-8-17(16)21(26)30/h4-5,7-8H,6,9-15H2,1-3H3,(H,23,27)/p+1