(2S)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: (2S)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-2-(3-allyloxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-[oxo(thiophen-2-yl)methyl]-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-5-(3-allyloxyphenyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C25H29N2O5S+ MolecularWeight: 469.57316

Click to see the large picture

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)[C@H]2C(=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/p+1/t22-/m0/s1