1-[4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C15H21BrN2O3/c1-12(19)18-8-6-17(7-9-18)10-14(20)11-21-15-4-2-13(16)3-5-15/h2-5,14,20H,6-11H2,1H3/p+1/t14-/m1/s1