4-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-propyl-1,3-thiazole

Systemtic Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-propyl-1,3-thiazole Openeye Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-propyl-thiazole CAS Name: 4-[[4-(2-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-propylthiazole IUPAC Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-propyl-1,3-thiazole Traditional Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-propyl-thiazole Formula: C17H23BrN3O2S2+ MolecularWeight: 445.41742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCCC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H22BrN3O2S2/c1-2-5-17-19-14(13-24-17)12-20-8-10-21(11-9-20)25(22,23)16-7-4-3-6-15(16)18/h3-4,6-7,13H,2,5,8-12H2,1H3/p+1