[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N

Isomeric SMILES

C1C[C@@H](OC1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N

InChI

InChI=1S/C14H19BrN2O3/c15-11-3-4-13(20-9-14(16)18)10(6-11)7-17-8-12-2-1-5-19-12/h3-4,6,12,17H,1-2,5,7-9H2,(H2,16,18)/p+1/t12-/m1/s1