2-fluoranyl-4-methoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 2-fluoranyl-4-methoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-4-methoxy-benzamide CAS Name: 2-fluoro-4-methoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-4-methoxybenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-4-methoxy-benzamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H26FN3O2/c1-31-22-11-12-23(24(26)17-22)25(30)27-20-7-9-21(10-8-20)29-15-13-28(14-16-29)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,30)/p+1