2-[2,4-dimethyl-1-oxidanyl-3-oxidanylidene-2-(4-phenoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2,4-dimethyl-1-oxidanyl-3-oxidanylidene-2-(4-phenoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-hydroxy-2,4-dimethyl-3-oxo-2-(4-phenoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[1-hydroxy-2,4-dimethyl-3-oxo-2-(4-phenoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-hydroxy-2,4-dimethyl-3-oxo-2-(4-phenoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: 2-[1-hydroxy-3-keto-2,4-dimethyl-2-(4-phenoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](C(C1=O)(C)C2=CC=C(C=C2)OC3=CC=CC=C3)(CC(=O)N)O

Isomeric SMILES

CC1C[N+](C(C1=O)(C)C2=CC=C(C=C2)OC3=CC=CC=C3)(CC(=O)N)O

InChI

InChI=1S/C20H22N2O4/c1-14-12-22(25,13-18(21)23)20(2,19(14)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H-,21,23)/p+1