2-(4-bromanylphenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)C[C@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C19H21BrN2O3/c1-22(10-11-24-18-8-4-16(20)5-9-18)13-17(23)14-25-19-6-2-15(12-21)3-7-19/h2-9,17,23H,10-11,13-14H2,1H3/p+1/t17-/m1/s1