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

Systemtic Name: dimethyl-[3-[(2S)-2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: 3-[(2S)-4-hydroxy-2-(3-isopentyloxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-4-hydroxy-2-(3-isoamoxyphenyl)-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C25H33N2O4S+ MolecularWeight: 457.60552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-17(2)11-14-31-19-9-5-8-18(16-19)22-21(23(28)20-10-6-15-32-20)24(29)25(30)27(22)13-7-12-26(3)4/h5-6,8-10,15-17,22,29H,7,11-14H2,1-4H3/p+1/t22-/m0/s1