2-(diphenylmethyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(diphenylmethyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(diphenylmethyl)thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c29-24(28-17-15-27(16-18-28)19-21-11-13-26-14-12-21)20-30-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2/p+1