(2R)-3-ethanoyl-2-(3-methoxyphenyl)-5-oxidanylidene-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-ethanoyl-2-(3-methoxyphenyl)-5-oxidanylidene-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-2-(3-methoxyphenyl)-5-oxo-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-2-(3-methoxyphenyl)-5-oxo-1-[2-(1-piperazin-4-iumyl)ethyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-2-(3-methoxyphenyl)-5-oxo-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-2-keto-5-(3-methoxyphenyl)-1-(2-piperazin-4-ium-1-ylethyl)-3-pyrrolin-3-olate Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)CCN3CC[NH2+]CC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=CC=C2)OC)CCN3CC[NH2+]CC3)[O-]

InChI

InChI=1S/C19H25N3O4/c1-13(23)16-17(14-4-3-5-15(12-14)26-2)22(19(25)18(16)24)11-10-21-8-6-20-7-9-21/h3-5,12,17,20,24H,6-11H2,1-2H3/t17-/m1/s1