methyl 5-methyl-6-[2-(5-methylsulfonyl-2-phenylmethoxy-phenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-methyl-6-[2-(5-methylsulfonyl-2-phenylmethoxy-phenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-[2-(2-benzyloxy-5-methylsulfonyl-phenyl)ethyl]-5-methyl-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 5-methyl-6-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-6-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-mesyl-phenyl)ethyl]-5-methyl-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC(=C1)C(=O)OC)[O-])CCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([N+](=CC(=C1)C(=O)OC)[O-])CCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO6S/c1-17-13-20(24(26)30-2)15-25(27)22(17)11-9-19-14-21(32(3,28)29)10-12-23(19)31-16-18-7-5-4-6-8-18/h4-8,10,12-15H,9,11,16H2,1-3H3