N,N-dimethyl-2-[[2-oxidanidyl-3-(phenylsulfonyl)-1,2-oxazol-2-ium-4-yl]oxy]ethanamine

Systemtic Name: N,N-dimethyl-2-[[2-oxidanidyl-3-(phenylsulfonyl)-1,2-oxazol-2-ium-4-yl]oxy]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)-2-oxido-isoxazol-2-ium-4-yl]oxy-N,N-dimethyl-ethanamine CAS Name: 2-[[3-(benzenesulfonyl)-2-oxido-4-isoxazol-2-iumyl]oxy]-N,N-dimethylethanamine IUPAC Name: 2-[[3-(benzenesulfonyl)-2-oxido-1,2-oxazol-2-ium-4-yl]oxy]-N,N-dimethylethanamine Traditional Name: 2-(3-besyl-2-oxido-isoxazol-2-ium-4-yl)oxyethyl-dimethyl-amine Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CN(C)CCOC1=CO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-14(2)8-9-19-12-10-20-15(16)13(12)21(17,18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3