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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C9H21N2O2S+ MolecularWeight: 221.34024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20N2O2S/c1-4-9(2)10-5-7-11(8-6-10)14(3,12)13/h9H,4-8H2,1-3H3/p+1/t9-/m0/s1