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

Systemtic Name: (2S)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Openeye Name: (2S)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one CAS Name: (2S)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-[oxo(thiophen-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one Formula: C25H31N2O7S+ MolecularWeight: 503.58784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H30N2O7S/c1-31-17-14-16(15-18(32-2)24(17)33-3)21-20(22(28)19-6-4-13-35-19)23(29)25(30)27(21)8-5-7-26-9-11-34-12-10-26/h4,6,13-15,21,29H,5,7-12H2,1-3H3/p+1/t21-/m0/s1