3-ethanoyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-phenyl-2H-pyrrol-5-one

Systemtic Name: 3-ethanoyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-phenyl-2H-pyrrol-5-one Openeye Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-2H-pyrrol-5-one CAS Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-2H-pyrrol-5-one IUPAC Name: 3-acetyl-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-2H-pyrrol-5-one Traditional Name: 4-acetyl-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-3-pyrrolin-2-one Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCC[N+]3=CNC=C3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCC[N+]3=CNC=C3)O

InChI

InChI=1S/C18H19N3O3/c1-13(22)15-16(14-6-3-2-4-7-14)21(18(24)17(15)23)10-5-9-20-11-8-19-12-20/h2-4,6-8,11-12,16H,5,9-10H2,1H3,(H,22,23)/p+1