4-fluoranyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H19FN3S+ MolecularWeight: 316.416263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=CC=CS3

InChI

InChI=1S/C17H18FN3S/c18-17-4-3-14(11-19)10-15(17)12-20-5-7-21(8-6-20)13-16-2-1-9-22-16/h1-4,9-10H,5-8,12-13H2/p+1