(2S)-2-(3-bromanylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(3-bromanylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(3-bromophenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(3-bromophenoxy)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(3-bromophenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(3-bromophenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H21BrN2O2/c1-3-17-7-9-18(10-8-17)15(19)12(2)20-14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3/p+1/t12-/m0/s1