N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C31H29FN3O2+ MolecularWeight: 494.579263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H28FN3O2/c32-26-17-15-25(16-18-26)30(36)33-28-14-8-7-13-27(28)31(37)35-21-19-34(20-22-35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2,(H,33,36)/p+1