(2R)-3-ethanoyl-2-(4-methylphenyl)-4-oxidanyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one

Systemtic Name: (2R)-3-ethanoyl-2-(4-methylphenyl)-4-oxidanyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Openeye Name: (2R)-3-acetyl-4-hydroxy-1-(2-piperazine-1,4-diium-1-ylethyl)-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: (2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-[2-(1-piperazine-1,4-diiumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Traditional Name: (5R)-4-acetyl-3-hydroxy-1-(2-piperazine-1,4-diium-1-ylethyl)-5-(p-tolyl)-3-pyrrolin-2-one Formula: C19H27N3O3+2 MolecularWeight: 345.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CC[NH2+]CC3)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+]3CC[NH2+]CC3)O)C(=O)C

InChI

InChI=1S/C19H25N3O3/c1-13-3-5-15(6-4-13)17-16(14(2)23)18(24)19(25)22(17)12-11-21-9-7-20-8-10-21/h3-6,17,20,24H,7-12H2,1-2H3/p+2/t17-/m1/s1