2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phthalimido-acetamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3/c1-15-13-16(25-11-9-24(2)10-12-25)7-8-19(15)23-20(27)14-26-21(28)17-5-3-4-6-18(17)22(26)29/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)/p+1