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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-allyloxyphenyl)-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-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-allyloxyphenyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H26N2O5S MolecularWeight: 454.53864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N2O5S/c1-2-12-31-18-6-3-5-17(16-18)21-20(22(27)19-7-4-15-32-19)23(28)24(29)26(21)9-8-25-10-13-30-14-11-25/h2-7,15-16,21,28H,1,8-14H2