[(1S)-1-(3-bromanyl-4-ethyl-phenyl)-3-ethoxy-3-oxidanylidene-propyl]azanium

Systemtic Name: [(1S)-1-(3-bromanyl-4-ethyl-phenyl)-3-ethoxy-3-oxidanylidene-propyl]azanium Openeye Name: [(1S)-1-(3-bromo-4-ethyl-phenyl)-3-ethoxy-3-oxo-propyl]ammonium CAS Name: [(1S)-1-(3-bromo-4-ethylphenyl)-3-ethoxy-3-oxopropyl]ammonium IUPAC Name: [(1S)-1-(3-bromo-4-ethylphenyl)-3-ethoxy-3-oxopropyl]azanium Traditional Name: [(1S)-1-(3-bromo-4-ethyl-phenyl)-3-ethoxy-3-keto-propyl]ammonium Formula: C13H19BrNO2+ MolecularWeight: 301.19946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC(=O)OCC)[NH3+])Br

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H](CC(=O)OCC)[NH3+])Br

InChI

InChI=1S/C13H18BrNO2/c1-3-9-5-6-10(7-11(9)14)12(15)8-13(16)17-4-2/h5-7,12H,3-4,8,15H2,1-2H3/p+1/t12-/m0/s1