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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F

InChI

InChI=1S/C20H22FN3O3/c21-16-3-1-2-4-17(16)24-11-9-23(10-12-24)8-7-20(25)22-15-5-6-18-19(13-15)27-14-26-18/h1-6,13H,7-12,14H2,(H,22,25)/p+1