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

Systemtic Name: (2S)-2-[2-[bis(fluoranyl)methoxy]phenyl]-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-[2-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-[2-(difluoromethoxy)phenyl]-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-[2-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-[2-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-yl-propionitrile Formula: C14H18F2N3O+ MolecularWeight: 282.309026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=C1OC(F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@](C#N)(C1=CC=CC=C1OC(F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C14H17F2N3O/c1-14(10-17,19-8-6-18-7-9-19)11-4-2-3-5-12(11)20-13(15)16/h2-5,13,18H,6-9H2,1H3/p+1/t14-/m1/s1