(2R)-2-(1,3-benzodioxol-5-yl)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-[2-(dimethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-[2-(dimethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-5-(1,3-benzodioxol-5-yl)-1-[2-(dimethylammonio)ethyl]-2-keto-3-pyrrolin-3-olate Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CC[NH+](C)C)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC3=C(C=C2)OCO3)CC[NH+](C)C)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10(20)14-15(11-4-5-12-13(8-11)24-9-23-12)19(7-6-18(2)3)17(22)16(14)21/h4-5,8,15,21H,6-7,9H2,1-3H3/t15-/m1/s1