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

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-16-14-18(26-12-10-25(3)11-13-26)8-9-21(16)24-22(28)15-27-17(2)19-6-4-5-7-20(19)23(27)29/h4-9,14H,2,10-13,15H2,1,3H3,(H,24,28)/p+1