2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(5-quinolylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(5-quinolinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(5-quinolylmethyl)acetamide Formula: C24H26FN4O2+ MolecularWeight: 421.487243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C=CC=NC2=CC=C1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=C(C=C4)F

Isomeric SMILES

CN(CC1=C2C=CC=NC2=CC=C1)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2/c1-28(16-18-4-2-6-21-20(18)5-3-11-26-21)23(30)14-22-24(31)27-12-13-29(22)15-17-7-9-19(25)10-8-17/h2-11,22H,12-16H2,1H3,(H,27,31)/p+1/t22-/m1/s1