1-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylpyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylpyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[[6-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-[[6-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylpyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[[6-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C22H23N4O5S2+ MolecularWeight: 487.57182

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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)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c27-26(28)22-9-6-19(31-22)10-15-32-21-8-7-20(16-23-21)33(29,30)25-13-11-24(12-14-25)17-18-4-2-1-3-5-18/h1-10,15-16H,11-14,17H2/p+1/b15-10+