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

Systemtic Name: [(2S)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]propan-2-yl]azanium Traditional Name: [(1S)-2-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]-1-methyl-ethyl]ammonium Formula: C12H18ClN2O3+ MolecularWeight: 273.73592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)[NH3+]

Isomeric SMILES

C[C@@H](CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)[NH3+]

InChI

InChI=1S/C12H17ClN2O3/c1-7(14)3-8-4-9(13)12(10(5-8)17-2)18-6-11(15)16/h4-5,7H,3,6,14H2,1-2H3,(H2,15,16)/p+1/t7-/m0/s1