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(4-ethylsulfonyloxyphenyl)methyl-(2-methylpropyl)azanium

(4-ethylsulfonyloxyphenyl)methyl-(2-methylpropyl)azanium

Systemtic Name:(4-ethylsulfonyloxyphenyl)methyl-(2-methylpropyl)azanium
Openeye Name:(4-ethylsulfonyloxyphenyl)methyl-isobutyl-ammonium
CAS Name:(4-ethylsulfonyloxyphenyl)methyl-(2-methylpropyl)ammonium
IUPAC Name:(4-ethylsulfonyloxyphenyl)methyl-(2-methylpropyl)azanium
Traditional Name:(4-esyloxybenzyl)-isobutyl-ammonium
Formula: C13H22NO3S+
MolecularWeight: 272.38368
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)C[NH2+]CC(C)C


Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)C[NH2+]CC(C)C


InChI

InChI=1S/C13H21NO3S/c1-4-18(15,16)17-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3/p+1


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