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

Systemtic Name: 3-[(2S)-2-(furan-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(2-furyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(2-furanyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(2-furyl)-4-hydroxy-5-keto-3-(2-thenoyl)-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=CS2)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CO3

InChI

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