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

Systemtic Name: 2-[4-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(1-methylene-3-oxo-isoindolin-2-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(1-methylene-3-oxo-2-isoindolyl)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(1-keto-3-methylene-isoindolin-2-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-17-20-9-5-6-10-21(20)24(31)28(17)16-23(30)26-19-11-13-27(14-12-19)15-22(29)25-18-7-3-2-4-8-18/h2-10,19H,1,11-16H2,(H,25,29)(H,26,30)/p+1