N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O/c1-16-7-8-17(2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)20-6-4-3-5-18(20)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1