2-(4-bromanylphenoxy)-1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O2/c1-3-13(2)18-8-10-19(11-9-18)16(20)12-21-15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m0/s1