1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: 1-[2-[(7-chloro-3-dibenzofuranyl)oxy]ethyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-(4-nitrobenzyl)piperidin-1-ium Formula: C26H26ClN2O4+ MolecularWeight: 465.94864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H26ClN2O4/c27-20-6-10-23-24-11-9-22(17-26(24)33-25(23)16-20)32-15-14-29(12-2-1-3-13-29)18-19-4-7-21(8-5-19)28(30)31/h4-11,16-17H,1-3,12-15,18H2/q+1