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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-3-ethanoyl-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-5-(4-dimethylaminophenyl)-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-2-one Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-14(24)17-18(15-4-6-16(7-5-15)21(2)3)23(20(26)19(17)25)9-8-22-10-12-27-13-11-22/h4-7,18,25H,8-13H2,1-3H3/p+1/t18-/m0/s1