[(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl]-(2-furanylmethyl)-methylammonium IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+](C)CC2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C17H20N2O3/c1-12(19(3)11-16-5-4-10-22-16)17(21)14-6-8-15(9-7-14)18-13(2)20/h4-10,12H,11H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1