(2R)-N-(4-bromophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propionamide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2/c1-15(19(25)22-18-9-7-17(21)8-10-18)23-11-13-24(14-12-23)20(26)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,22,25)/p+1/t15-/m1/s1