2-[3-[2,6-dimethyl-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-oxidanyl-2-oxidanylidene-pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[3-[2,6-dimethyl-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-oxidanyl-2-oxidanylidene-pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[3-[2,6-dimethyl-3-(4-pyridylmethoxy)phenyl]-1-hydroxy-3-methyl-2-oxo-pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[3-[2,6-dimethyl-3-(pyridin-4-ylmethoxy)phenyl]-1-hydroxy-3-methyl-2-oxo-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[3-[2,6-dimethyl-3-(pyridin-4-ylmethoxy)phenyl]-1-hydroxy-3-methyl-2-oxopyrrolidin-1-ium-1-yl]acetamide Traditional Name: 2-[3-[2,6-dimethyl-3-(4-pyridylmethoxy)phenyl]-1-hydroxy-2-keto-3-methyl-pyrrolidin-1-ium-1-yl]acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OCC2=CC=NC=C2)C)C3(CC[N+](C3=O)(CC(=O)N)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)OCC2=CC=NC=C2)C)C3(CC[N+](C3=O)(CC(=O)N)O)C

InChI

InChI=1S/C21H25N3O4/c1-14-4-5-17(28-13-16-6-9-23-10-7-16)15(2)19(14)21(3)8-11-24(27,20(21)26)12-18(22)25/h4-7,9-10,27H,8,11-13H2,1-3H3,(H-,22,25)/p+1