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

Systemtic Name: 2-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-phthalimidopropanoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-14(2)21-17(25)13-22-9-11-23(12-10-22)18(26)7-8-24-19(27)15-5-3-4-6-16(15)20(24)28/h3-6,14H,7-13H2,1-2H3,(H,21,25)/p+1