(2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21BrN3O2S+ MolecularWeight: 423.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20BrN3O2S/c1-13(17(23)20-15-5-2-4-14(19)12-15)21-7-9-22(10-8-21)18(24)16-6-3-11-25-16/h2-6,11-13H,7-10H2,1H3,(H,20,23)/p+1/t13-/m0/s1