(4-methoxy-3-methylsulfonyloxy-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (4-methoxy-3-methylsulfonyloxy-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: isobutyl-[(4-methoxy-3-methylsulfonyloxy-phenyl)methyl]ammonium CAS Name: (4-methoxy-3-methylsulfonyloxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (4-methoxy-3-methylsulfonyloxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: isobutyl-(4-methoxy-3-methylsulfonyloxy-benzyl)ammonium Formula: C13H22NO4S+ MolecularWeight: 288.38308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4S/c1-10(2)8-14-9-11-5-6-12(17-3)13(7-11)18-19(4,15)16/h5-7,10,14H,8-9H2,1-4H3/p+1