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

Systemtic Name: 3-[(2S)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(2-furoyl)-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CS3

InChI

InChI=1S/C18H20N2O4S/c1-19(2)8-5-9-20-15(13-7-4-11-25-13)14(17(22)18(20)23)16(21)12-6-3-10-24-12/h3-4,6-7,10-11,15,22H,5,8-9H2,1-2H3/p+1/t15-/m1/s1