1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-isopropylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-p-cumenyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H28N2O4S/c1-16(2)17-5-7-18(8-6-17)21-20(22(27)19-4-3-15-31-19)23(28)24(29)26(21)10-9-25-11-13-30-14-12-25/h3-8,15-16,21,28H,9-14H2,1-2H3