2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorobenzyl)-N-methyl-acetamide Formula: C22H29FN3O+ MolecularWeight: 370.483563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H28FN3O/c1-17-6-4-9-21(18(17)2)26-12-10-25(11-13-26)16-22(27)24(3)15-19-7-5-8-20(23)14-19/h4-9,14H,10-13,15-16H2,1-3H3/p+1