(2R)-2-(4-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(4-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-2-(4-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-5-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-2-keto-3-pyrrolin-3-olate Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CCC[NH+](C)C)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)Br)CCC[NH+](C)C)[O-]

InChI

InChI=1S/C17H21BrN2O3/c1-11(21)14-15(12-5-7-13(18)8-6-12)20(17(23)16(14)22)10-4-9-19(2)3/h5-8,15,22H,4,9-10H2,1-3H3/t15-/m1/s1