(2S)-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-ethyl-propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3S/c1-3-16-15(19)13(2)17-9-11-18(12-10-17)22(20,21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,16,19)/p+1/t13-/m0/s1