[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxo-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-dimethyl-ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](CC2=CC=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C20H26N2O3/c1-6-25-20(24)17-13(2)18(21-14(17)3)19(23)16(22(4)5)12-15-10-8-7-9-11-15/h7-11,16,21H,6,12H2,1-5H3/p+1/t16-/m0/s1