[(1S,2S)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-1-oxidanyl-propan-2-yl]azanium

Systemtic Name: [(1S,2S)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-1-oxidanyl-propan-2-yl]azanium Openeye Name: [(1S,2S)-2-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]-2-hydroxy-1-methyl-ethyl]ammonium CAS Name: [(1S,2S)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-1-hydroxypropan-2-yl]ammonium IUPAC Name: [(1S,2S)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-1-hydroxypropan-2-yl]azanium Traditional Name: [(1S,2S)-2-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]-2-hydroxy-1-methyl-ethyl]ammonium Formula: C12H18ClN2O4+ MolecularWeight: 289.73532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)O)[NH3+]

Isomeric SMILES

C[C@@H]([C@H](C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)O)[NH3+]

InChI

InChI=1S/C12H17ClN2O4/c1-6(14)11(17)7-3-8(13)12(9(4-7)18-2)19-5-10(15)16/h3-4,6,11,17H,5,14H2,1-2H3,(H2,15,16)/p+1/t6-,11+/m0/s1