2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H22N4O3/c1-15-17-4-2-3-5-18(17)21(27)25(15)14-20(26)23-13-16-6-7-19(22-12-16)24-8-10-28-11-9-24/h2-7,12H,1,8-11,13-14H2,(H,23,26)/p+1