2-[(2R)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C17H21N2O5+ MolecularWeight: 333.35904

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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/p+1/t15-/m1/s1