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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F

InChI

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