(2S)-2-(3,4-diethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: (2S)-2-(3,4-diethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: (2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-5-(3,4-diethoxyphenyl)-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C25H31N2O6S+ MolecularWeight: 487.58844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4)OCC

InChI

InChI=1S/C25H30N2O6S/c1-3-32-18-8-7-17(16-19(18)33-4-2)22-21(23(28)20-6-5-15-34-20)24(29)25(30)27(22)10-9-26-11-13-31-14-12-26/h5-8,15-16,22,29H,3-4,9-14H2,1-2H3/p+1/t22-/m0/s1