(2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-(4-brosylpiperazin-1-ium-1-yl)-N-propyl-propionamide Formula: C16H25BrN3O3S+ MolecularWeight: 419.357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O3S/c1-3-8-18-16(21)13(2)19-9-11-20(12-10-19)24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1