4-[[5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]morpholin-4-ium CAS Name: 4-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]morpholin-4-ium Traditional Name: 4-[5-bromo-2-(4-nitrobenzyl)oxy-benzyl]morpholin-4-ium Formula: C18H20BrN2O4+ MolecularWeight: 408.2664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O4/c19-16-3-6-18(15(11-16)12-20-7-9-24-10-8-20)25-13-14-1-4-17(5-2-14)21(22)23/h1-6,11H,7-10,12-13H2/p+1