(4R)-1-(2,3-dimethylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-(2,3-dimethylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-(2,3-dimethylphenyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4R)-1-(2,3-dimethylphenyl)-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4R)-1-(2,3-dimethylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4R)-1-(2,3-dimethylphenyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C23H29N4O2+ MolecularWeight: 393.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

InChI

InChI=1S/C23H28N4O2/c1-17-4-3-5-21(18(17)2)27-16-20(14-22(27)28)23(29)26-12-10-25(11-13-26)15-19-6-8-24-9-7-19/h3-9,20H,10-16H2,1-2H3/p+1/t20-/m1/s1