1-(phenylmethyl)-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-[(6-benzylsulfanyl-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[[6-(phenylmethylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-(6-benzylsulfanylpyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[[6-(benzylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C23H26N3O2S2+ MolecularWeight: 440.60144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S2/c27-30(28,26-15-13-25(14-16-26)18-20-7-3-1-4-8-20)22-11-12-23(24-17-22)29-19-21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2/p+1