(2S)-3-ethanoyl-2-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-2-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-2-one Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)O)CC[NH+]3CCOCC3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)O)CC[NH+]3CCOCC3)O

InChI

InChI=1S/C18H22N2O5/c1-12(21)15-16(13-2-4-14(22)5-3-13)20(18(24)17(15)23)7-6-19-8-10-25-11-9-19/h2-5,16,22-23H,6-11H2,1H3/p+1/t16-/m0/s1