1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenylsulfanylpropan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(phenylthio)propan-1-one Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-25(16-21-30-24-14-8-3-9-15-24)27-17-19-28(20-18-27)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,26H,16-21H2/p+1