1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-(4-brosylpiperazin-1-ium-1-yl)-3,3-dimethyl-butan-2-one Formula: C16H24BrN2O3S+ MolecularWeight: 404.34236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O3S/c1-16(2,3)15(20)12-18-8-10-19(11-9-18)23(21,22)14-6-4-13(17)5-7-14/h4-7H,8-12H2,1-3H3/p+1