4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium-1-carbaldehyde Formula: C12H15BrFN2O+ MolecularWeight: 302.162703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrFN2O/c13-11-7-10(1-2-12(11)14)8-15-3-5-16(9-17)6-4-15/h1-2,7,9H,3-6,8H2/p+1