[2-[[(2R)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[[(2R)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[[(2R)-5-(2-acetylphenyl)coumaran-2-yl]methylamino]-2-keto-ethyl]-dimethyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)O[C@H](C3)CNC(=O)C[NH+](C)C

InChI

InChI=1S/C21H24N2O3/c1-14(24)18-6-4-5-7-19(18)15-8-9-20-16(10-15)11-17(26-20)12-22-21(25)13-23(2)3/h4-10,17H,11-13H2,1-3H3,(H,22,25)/p+1/t17-/m1/s1