1-[(2S)-butan-2-yl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(1S)-1-methylpropyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2S)-butan-2-yl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2S)-butan-2-yl]piperazin-4-ium Traditional Name: 1-besyl-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-3-13(2)15-9-11-16(12-10-15)19(17,18)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/p+1/t13-/m0/s1