[(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O4/c1-14(21(25)17-5-7-18(8-6-17)22-15(2)24)23(3)13-16-4-9-19-20(12-16)27-11-10-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,24)/p+1/t14-/m0/s1