(5-bromanylthiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C16H18BrN2O2S+ MolecularWeight: 382.29532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H17BrN2O2S/c1-19(10-15-6-7-16(17)22-15)9-13(20)11-21-14-4-2-12(8-18)3-5-14/h2-7,13,20H,9-11H2,1H3/p+1/t13-/m0/s1