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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)Br)OCC(=O)N

InChI

InChI=1S/C18H21BrN2O4/c1-24-16-8-12(7-14(19)18(16)25-11-17(20)23)9-21-10-15(22)13-5-3-2-4-6-13/h2-8,15,21-22H,9-11H2,1H3,(H2,20,23)/p+1/t15-/m1/s1