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

Systemtic Name: 2-[3-[3-[(1-oxidanylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[(1-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[(1-hydroxy-1-piperidin-1-iumyl)methyl]phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[(1-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[(1-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]isoindoline-1,3-quinone Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C23H27N2O4/c26-22-20-10-2-3-11-21(20)23(27)24(22)12-7-15-29-19-9-6-8-18(16-19)17-25(28)13-4-1-5-14-25/h2-3,6,8-11,16,28H,1,4-5,7,12-15,17H2/q+1