(2S)-1-(4-bromophenyl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-bromophenyl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-bromophenyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-bromophenyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-bromophenyl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-bromophenyl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17BrN2O/c1-10(16-8-6-15-7-9-16)13(17)11-2-4-12(14)5-3-11/h2-5,10,15H,6-9H2,1H3/p+1/t10-/m0/s1