[(2S)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]-2-hydroxy-ethyl]ammonium CAS Name: [(2S)-2-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-2-hydroxyethyl]ammonium IUPAC Name: [(2S)-2-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-2-hydroxyethyl]azanium Traditional Name: [(2S)-2-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]-2-hydroxy-ethyl]ammonium Formula: C11H16ClN2O4+ MolecularWeight: 275.70874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C[NH3+])O)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@@H](C[NH3+])O)Cl)OCC(=O)N

InChI

InChI=1S/C11H15ClN2O4/c1-17-9-3-6(8(15)4-13)2-7(12)11(9)18-5-10(14)16/h2-3,8,15H,4-5,13H2,1H3,(H2,14,16)/p+1/t8-/m1/s1