4-[[2,5-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[2,5-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2,5-difluorophenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2,5-difluorophenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2,5-difluorophenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(2,5-difluorobenzyl)piperazin-4-ium-1-carbaldehyde Formula: C12H15F2N2O+ MolecularWeight: 241.257106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C=O

InChI

InChI=1S/C12H14F2N2O/c13-11-1-2-12(14)10(7-11)8-15-3-5-16(9-17)6-4-15/h1-2,7,9H,3-6,8H2/p+1