methyl-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium chloride

Systemtic Name: methyl-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-methyl-[2-(4-methylsulfonylphenyl)-2-oxo-ethyl]ammonium chloride CAS Name: methyl-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-methyl-[2-(4-methylsulfonylphenyl)-2-oxoethyl]azanium chloride Traditional Name: benzyl-[2-keto-2-(4-mesylphenyl)ethyl]-methyl-ammonium chloride Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C17H19NO3S.ClH/c1-18(12-14-6-4-3-5-7-14)13-17(19)15-8-10-16(11-9-15)22(2,20)21;/h3-11H,12-13H2,1-2H3;1H