2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-(4-piperonylpiperazin-4-ium-1-yl)benzonitrile Formula: C19H19FN3O2+ MolecularWeight: 340.371463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C19H18FN3O2/c20-16-2-1-3-17(15(16)11-21)23-8-6-22(7-9-23)12-14-4-5-18-19(10-14)25-13-24-18/h1-5,10H,6-9,12-13H2/p+1