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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-4-2-15(19)3-5-16/h2-6,11,13H,7-10H2,1H3,(H,21,24)/p+1/t13-/m1/s1