(2R)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2R)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]propanenitrile IUPAC Name: (2R)-2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionitrile Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S2/c1-16(13-20)26-19-8-7-18(14-21-19)27(24,25)23-11-9-22(10-12-23)15-17-5-3-2-4-6-17/h2-8,14,16H,9-12,15H2,1H3/p+1/t16-/m1/s1