(2S)-2-[2,5-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2S)-2-[2,5-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-(2,5-difluorophenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-(2,5-difluorophenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-(2,5-difluorophenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-(2,5-difluorophenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C13H16F2N3+ MolecularWeight: 252.283046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=C(C=CC(=C1)F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@](C#N)(C1=C(C=CC(=C1)F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C13H15F2N3/c1-13(9-16,18-6-4-17-5-7-18)11-8-10(14)2-3-12(11)15/h2-3,8,17H,4-7H2,1H3/p+1/t13-/m1/s1