1-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Formula: C19H21BrClN4O3S+ MolecularWeight: 500.81704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C19H20BrClN4O3S/c1-22-16-4-2-3-5-17(16)25(19(22)26)13-23-8-10-24(11-9-23)29(27,28)18-7-6-14(20)12-15(18)21/h2-7,12H,8-11,13H2,1H3/p+1