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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N2O5S/c1-2-14-32-19-8-6-18(7-9-19)22-21(23(28)20-5-3-17-33-20)24(29)25(30)27(22)11-4-10-26-12-15-31-16-13-26/h2-3,5-9,17,22,29H,1,4,10-16H2/p+1/t22-/m0/s1