(2R)-N-(4-bromophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propionamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O2/c1-11(18-7-9-19(10-8-18)12(2)20)15(21)17-14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,21)/p+1/t11-/m1/s1