1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-allyloxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-allyloxyphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N2O5S/c1-2-13-32-19-7-3-6-18(17-19)22-21(23(28)20-8-4-16-33-20)24(29)25(30)27(22)10-5-9-26-11-14-31-15-12-26/h2-4,6-8,16-17,22,29H,1,5,9-15H2