2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C18H23BrN3O3S+ MolecularWeight: 441.36252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-13-10-17(14(2)20-13)18(23)12-21-6-8-22(9-7-21)26(24,25)16-5-3-4-15(19)11-16/h3-5,10-11,20H,6-9,12H2,1-2H3/p+1