[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-[2-(2-furanylmethylamino)-2-oxoethyl]-methylammonium IUPAC Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium Traditional Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[2-(2-furfurylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H22BrN2O4+ MolecularWeight: 398.27158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=C(C=C1)Br)O)CC(=O)NCC2=CC=CO2

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=C(C=C1)Br)O)CC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H21BrN2O4/c1-20(11-17(22)19-9-16-3-2-8-23-16)10-14(21)12-24-15-6-4-13(18)5-7-15/h2-8,14,21H,9-12H2,1H3,(H,19,22)/p+1/t14-/m0/s1