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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)propionamide Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2/c1-15(21(27)23-19-7-5-18(22)6-8-19)24-11-13-25(14-12-24)20-9-3-17(4-10-20)16(2)26/h3-10,15H,11-14H2,1-2H3,(H,23,27)/p+1/t15-/m1/s1