N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H20FN4OS+ MolecularWeight: 359.441003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4OS/c19-15-1-3-16(4-2-15)23-10-8-22(9-11-23)7-5-17(24)21-18-14(13-20)6-12-25-18/h1-4,6,12H,5,7-11H2,(H,21,24)/p+1