[(2S)-butan-2-yl]-[(4-methylsulfonyloxyphenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(4-methylsulfonyloxyphenyl)methyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(4-methylsulfonyloxyphenyl)methyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-methylsulfonyloxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-methylsulfonyloxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-(4-methylsulfonyloxybenzyl)ammonium Formula: C12H20NO3S+ MolecularWeight: 258.3571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C12H19NO3S/c1-4-10(2)13-9-11-5-7-12(8-6-11)16-17(3,14)15/h5-8,10,13H,4,9H2,1-3H3/p+1/t10-/m0/s1