methyl 4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonyl-benzoate CAS Name: 4-[1-(dimethylamino)-1-piperidin-1-iumyl]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-methylsulfonylbenzoate Traditional Name: 4-[1-(dimethylamino)piperidin-1-ium-1-yl]-3-mesyl-benzoic acid methyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(CCCCC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)[N+]1(CCCCC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H25N2O4S/c1-17(2)18(10-6-5-7-11-18)14-9-8-13(16(19)22-3)12-15(14)23(4,20)21/h8-9,12H,5-7,10-11H2,1-4H3/q+1