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

Systemtic Name: (2S)-2-(3-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-m-phenetyl-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-2-31-18-7-3-6-17(16-18)21-20(22(27)19-8-4-15-32-19)23(28)24(29)26(21)10-5-9-25-11-13-30-14-12-25/h3-4,6-8,15-16,21,28H,2,5,9-14H2,1H3/p+1/t21-/m0/s1