N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O4/c22-17-4-2-1-3-16(17)21(27)23-12-20(26)25-9-7-24(8-10-25)13-15-5-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H,23,27)/p+1