dimethyl-[2-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[2-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-2-oxo-ethyl]ammonium CAS Name: dimethyl-[2-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[2-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[(2R)-7-(4-mesylphenyl)coumaran-2-yl]methylamino]ethyl]-dimethyl-ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCC1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CC(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O4S/c1-22(2)13-19(23)21-12-16-11-15-5-4-6-18(20(15)26-16)14-7-9-17(10-8-14)27(3,24)25/h4-10,16H,11-13H2,1-3H3,(H,21,23)/p+1/t16-/m1/s1