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

Systemtic Name: 3-[(2S)-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-3-hydroxy-2-keto-5-p-phenetyl-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-4-28-16-10-8-15(9-11-16)19-18(20(25)17-7-5-14-29-17)21(26)22(27)24(19)13-6-12-23(2)3/h5,7-11,14,19,26H,4,6,12-13H2,1-3H3/p+1/t19-/m0/s1