N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-[(1R)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-N-phenethyl-ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-[(1R)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-N-phenethyl-ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-[(1R)-3-oxoisoindolin-1-yl]-N-phenethyl-acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-phenethylacetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-phenethylacetamide Traditional Name: 2-[(1R)-3-ketoisoindolin-1-yl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-acetamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C[C@@H]3C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C25H31N3O2/c1-27-14-11-20(12-15-27)18-28(16-13-19-7-3-2-4-8-19)24(29)17-23-21-9-5-6-10-22(21)25(30)26-23/h2-10,20,23H,11-18H2,1H3,(H,26,30)/p+1/t23-/m1/s1