2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N-(4-fluorophenyl)acetamide Formula: C27H29FN3O2S+ MolecularWeight: 478.601463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O2S/c28-23-11-13-24(14-12-23)29-25(32)19-34-20-26(33)30-15-17-31(18-16-30)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,27H,15-20H2,(H,29,32)/p+1