N-(3-fluorophenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-fluorophenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-fluorophenyl)propanamide CAS Name: N-(3-fluorophenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-fluorophenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-fluorophenyl)propionamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O/c21-18-7-4-8-19(15-18)22-20(25)9-10-23-11-13-24(14-12-23)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25)/p+1