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

Systemtic Name: 3-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-fluoro-benzaldehyde CAS Name: 3-fluoro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-fluorobenzaldehyde Traditional Name: 4-(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=C(C=C3)C=O)F

Isomeric SMILES

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

InChI

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