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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O4S/c1-11-6-7-12(24-11)15-14(16(21)13-5-4-10-25-13)17(22)18(23)20(15)9-8-19(2)3/h4-7,10,15,22H,8-9H2,1-3H3/p+1/t15-/m1/s1