2-[3-[3-[(1-oxidanylpyrrolidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-[(1-oxidanylpyrrolidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[(1-hydroxypyrrolidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[(1-hydroxy-1-pyrrolidin-1-iumyl)methyl]phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[(1-hydroxypyrrolidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[(1-hydroxypyrrolidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindoline-1,3-quinone Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC(=CC=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1CC[N+](C1)(CC2=CC(=CC=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H25N2O4/c25-21-19-9-1-2-10-20(19)22(26)23(21)11-6-14-28-18-8-5-7-17(15-18)16-24(27)12-3-4-13-24/h1-2,5,7-10,15,27H,3-4,6,11-14,16H2/q+1