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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H24N2O2S/c1-3-14(2)16-9-11-17(12-10-16)20(18,19)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1