[5-[diethyl(methyl)azaniumyl]-2-methanoyl-phenyl]methanesulfonate

Systemtic Name: [5-[diethyl(methyl)azaniumyl]-2-methanoyl-phenyl]methanesulfonate Openeye Name: [5-[diethyl(methyl)ammonio]-2-formyl-phenyl]methanesulfonate CAS Name: [5-[diethyl(methyl)ammonio]-2-formylphenyl]methanesulfonate IUPAC Name: [5-[diethyl(methyl)azaniumyl]-2-formylphenyl]methanesulfonate Traditional Name: [5-[diethyl(methyl)ammonio]-2-formyl-phenyl]methanesulfonate Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C1=CC(=C(C=C1)C=O)CS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)C1=CC(=C(C=C1)C=O)CS(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO4S/c1-4-14(3,5-2)13-7-6-11(9-15)12(8-13)10-19(16,17)18/h6-9H,4-5,10H2,1-3H3