N-[2,4-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-yl-propanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-yl-propanamide Openeye Name: N-(2,4-difluorophenyl)-3-piperazin-4-ium-1-yl-propanamide CAS Name: N-(2,4-difluorophenyl)-3-(1-piperazin-4-iumyl)propanamide IUPAC Name: N-(2,4-difluorophenyl)-3-piperazin-4-ium-1-ylpropanamide Traditional Name: N-(2,4-difluorophenyl)-3-piperazin-4-ium-1-yl-propionamide Formula: C13H18F2N3O+ MolecularWeight: 270.298326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

C1CN(CC[NH2+]1)CCC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N3O/c14-10-1-2-12(11(15)9-10)17-13(19)3-6-18-7-4-16-5-8-18/h1-2,9,16H,3-8H2,(H,17,19)/p+1