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

Systemtic Name: 2-(4-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(p-tolyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(p-tolyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O4S/c1-15-4-6-16(7-5-15)19-18(20(25)17-3-2-14-29-17)21(26)22(27)24(19)9-8-23-10-12-28-13-11-23/h2-7,14,19,26H,8-13H2,1H3