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

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H27N3O2/c1-18-21-7-3-4-8-22(21)24(29)27(18)17-23(28)25-15-19-9-11-20(12-10-19)16-26-13-5-2-6-14-26/h3-4,7-12H,1-2,5-6,13-17H2,(H,25,28)/p+1