3-fluoranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-fluoranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-fluoro-benzaldehyde CAS Name: 3-fluoro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-fluorobenzaldehyde Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-fluoro-benzaldehyde Formula: C18H20FN2O+ MolecularWeight: 299.362603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=C3F)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=C3F)C=O

InChI

InChI=1S/C18H19FN2O/c19-17-8-4-7-16(14-22)18(17)21-11-9-20(10-12-21)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2/p+1