1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethanone Traditional Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethanone Formula: C25H26FN2O+ MolecularWeight: 389.485143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C25H25FN2O/c1-19(29)22-12-13-24(23(26)18-22)27-14-16-28(17-15-27)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3/p+1