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

Systemtic Name: [(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]azanium Openeye Name: (4-ethylsulfonyloxyphenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]azanium Traditional Name: (4-esyloxybenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H22NO3S+ MolecularWeight: 272.38368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-4-11(3)14-10-12-6-8-13(9-7-12)17-18(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3/p+1/t11-/m0/s1