2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H21BrN3O2S2+ MolecularWeight: 467.42294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C19H20BrN3O2S2/c1-14-12-15(6-7-16(14)20)27(24,25)23-10-8-22(9-11-23)13-19-21-17-4-2-3-5-18(17)26-19/h2-7,12H,8-11,13H2,1H3/p+1