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

Systemtic Name: 2-[3-[3-[1-(1-oxidanylpyrrolidin-1-ium-1-yl)ethyl]phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[1-(1-hydroxypyrrolidin-1-ium-1-yl)ethyl]phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[1-(1-hydroxy-1-pyrrolidin-1-iumyl)ethyl]phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[1-(1-hydroxypyrrolidin-1-ium-1-yl)ethyl]phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[1-(1-hydroxypyrrolidin-1-ium-1-yl)ethyl]phenoxy]propyl]isoindoline-1,3-quinone Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O)[N+]4(CCCC4)O

Isomeric SMILES

CC(C1=CC(=CC=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O)[N+]4(CCCC4)O

InChI

InChI=1S/C23H27N2O4/c1-17(25(28)13-4-5-14-25)18-8-6-9-19(16-18)29-15-7-12-24-22(26)20-10-2-3-11-21(20)23(24)27/h2-3,6,8-11,16-17,28H,4-5,7,12-15H2,1H3/q+1