1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-naphthylthio)ethanone Formula: C29H29N2OS+ MolecularWeight: 453.61836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H28N2OS/c32-28(22-33-27-16-15-23-9-7-8-14-26(23)21-27)30-17-19-31(20-18-30)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,21,29H,17-20,22H2/p+1