2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethyl-azanium bromide

Systemtic Name: 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethyl-azanium bromide Openeye Name: 2-[4-[(tert-butoxycarbonylamino)methyl]-2-methoxy-phenoxy]ethyl-trimethyl-ammonium bromide CAS Name: 2-[2-methoxy-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethylazanium bromide Traditional Name: 2-[4-[(tert-butoxycarbonylamino)methyl]-2-methoxy-phenoxy]ethyl-trimethyl-ammonium bromide Formula: C18H31BrN2O4 MolecularWeight: 419.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)OCC[N+](C)(C)C)OC.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)OCC[N+](C)(C)C)OC.[Br-]

InChI

InChI=1S/C18H30N2O4.BrH/c1-18(2,3)24-17(21)19-13-14-8-9-15(16(12-14)22-7)23-11-10-20(4,5)6;/h8-9,12H,10-11,13H2,1-7H3;1H