N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-phenyl-benzamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-phenyl-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-phenyl-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-phenylbenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-phenylbenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-phenyl-benzamide Formula: C30H29FN3O+ MolecularWeight: 466.569163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28FN3O/c31-29-9-5-4-8-26(29)22-33-18-20-34(21-19-33)28-16-14-27(15-17-28)32-30(35)25-12-10-24(11-13-25)23-6-2-1-3-7-23/h1-17H,18-22H2,(H,32,35)/p+1