2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C30H34N3O2S+ MolecularWeight: 500.67486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2S/c34-28(31-17-9-10-18-31)23-36-27-16-8-7-15-26(27)30(35)33-21-19-32(20-22-33)29(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-8,11-16,29H,9-10,17-23H2/p+1