(2-bromophenyl)methyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (2-bromophenyl)methyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(2-bromophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2-bromophenyl)methyl]-methylammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2-bromophenyl)methyl]-methylazanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(2-bromobenzyl)-methyl-ammonium Formula: C20H25BrNO4+ MolecularWeight: 423.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH+](C)CC2=CC=CC=C2Br)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](C[NH+](C)CC2=CC=CC=C2Br)O)OC

InChI

InChI=1S/C20H24BrNO4/c1-14(23)15-8-9-19(20(10-15)25-3)26-13-17(24)12-22(2)11-16-6-4-5-7-18(16)21/h4-10,17,24H,11-13H2,1-3H3/p+1/t17-/m1/s1