N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methoxy-benzamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methoxy-benzamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methoxy-benzamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-methoxybenzamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methoxybenzamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-methoxy-benzamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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