1-(4-bromophenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 3-(4-benzoyl-1-piperazin-1-iumyl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2/c21-18-8-6-16(7-9-18)19(24)10-11-22-12-14-23(15-13-22)20(25)17-4-2-1-3-5-17/h1-9H,10-15H2/p+1