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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-tosyl-piperazin-1-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2S/c1-4-14(3)16-9-11-17(12-10-16)20(18,19)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3/p+1/t14-/m0/s1