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

Systemtic Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-brosylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Formula: C18H19BrN3O3S+ MolecularWeight: 437.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H18BrN3O3S/c19-14-5-7-15(8-6-14)26(23,24)22-11-9-21(10-12-22)13-18-20-16-3-1-2-4-17(16)25-18/h1-8H,9-13H2/p+1