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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C19H24BrN2O4+ MolecularWeight: 424.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)Br)OCC(=O)N

InChI

InChI=1S/C19H23BrN2O4/c1-2-25-17-9-13(8-15(20)19(17)26-12-18(21)24)10-22-11-16(23)14-6-4-3-5-7-14/h3-9,16,22-23H,2,10-12H2,1H3,(H2,21,24)/p+1/t16-/m1/s1