(2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propionamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O3S/c1-12(15(20)17(2)3)18-7-9-19(10-8-18)23(21,22)14-6-4-5-13(16)11-14/h4-6,11-12H,7-10H2,1-3H3/p+1/t12-/m1/s1