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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide Traditional Name: N-(2-fluorophenyl)-3-(4-piperonylpiperazin-1-ium-1-yl)propionamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24FN3O3/c22-17-3-1-2-4-18(17)23-21(26)7-8-24-9-11-25(12-10-24)14-16-5-6-19-20(13-16)28-15-27-19/h1-6,13H,7-12,14-15H2,(H,23,26)/p+1