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

Systemtic Name: 2-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-phthalimidopropanoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H28N4O4/c1-21(2,3)22-17(26)14-23-10-12-24(13-11-23)18(27)8-9-25-19(28)15-6-4-5-7-16(15)20(25)29/h4-7H,8-14H2,1-3H3,(H,22,26)/p+1