2-(4-bromophenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-13-10-15(19-23-13)11-20-6-8-21(9-7-20)17(22)12-24-16-4-2-14(18)3-5-16/h2-5,10H,6-9,11-12H2,1H3/p+1