3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Formula: C18H20BrN4O3S+ MolecularWeight: 452.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H19BrN4O3S/c19-14-4-3-5-15(12-14)27(25,26)22-10-8-21(9-11-22)13-23-17-7-2-1-6-16(17)20-18(23)24/h1-7,12H,8-11,13H2,(H,20,24)/p+1