4-methylbenzenesulfonate; [methyl-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]azanium

Systemtic Name: 4-methylbenzenesulfonate; [methyl-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]azanium Openeye Name: [(2-benzyloxy-2-oxo-ethyl)-methyl-amino]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [methyl-(2-oxo-2-phenylmethoxyethyl)amino]ammonium IUPAC Name: 4-methylbenzenesulfonate; [methyl-(2-oxo-2-phenylmethoxyethyl)amino]azanium Traditional Name: [(2-benzoxy-2-keto-ethyl)-methyl-amino]ammonium tosylate Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(CC(=O)OCC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(CC(=O)OCC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C10H14N2O2.C7H8O3S/c1-12(11)7-10(13)14-8-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,7-8,11H2,1H3;2-5H,1H3,(H,8,9,10)