3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C22H22N2O4S/c1-23(2)10-6-11-24-19(17-9-5-12-29-17)18(21(26)22(24)27)20(25)16-13-14-7-3-4-8-15(14)28-16/h3-5,7-9,12-13,19,26H,6,10-11H2,1-2H3/p+1/t19-/m0/s1