2-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H24BrN4O2S+ MolecularWeight: 464.39916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H23BrN4O2S/c21-15-3-1-2-14(10-15)20-23-17(13-28-20)11-19(27)25-8-6-24(7-9-25)12-18(26)22-16-4-5-16/h1-3,10,13,16H,4-9,11-12H2,(H,22,26)/p+1