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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phthalimido-butyramide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O3/c1-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-21(28)7-4-12-27-22(29)19-5-2-3-6-20(19)23(27)30/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28)/p+1