1-(phenylmethyl)-4-(4-phenylsulfanylbutyl)piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)-4-(4-phenylsulfanylbutyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium CAS Name: 1-(phenylmethyl)-4-[4-(phenylthio)butyl]piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium Traditional Name: 1-benzyl-4-[4-(phenylthio)butyl]piperazin-4-ium Formula: C21H29N2S+ MolecularWeight: 341.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCSC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCCSC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2S/c1-3-9-20(10-4-1)19-23-16-14-22(15-17-23)13-7-8-18-24-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2/p+1