3-[(2R)-3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-acetyl-3-hydroxy-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-12(21)15-16(13-7-5-8-14(11-13)24-4)20(18(23)17(15)22)10-6-9-19(2)3/h5,7-8,11,16,22H,6,9-10H2,1-4H3/p+1/t16-/m1/s1