6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide

Systemtic Name: 6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide Openeye Name: 6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide CAS Name: 6-[(4-methoxyphenyl)methylthio]-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide IUPAC Name: 6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide Traditional Name: 6-(p-anisylthio)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium iodide Formula: C14H17IN2OS MolecularWeight: 388.26705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CN3C=CC=[N+]3C2.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CN3C=CC=[N+]3C2.[I-]

InChI

InChI=1S/C14H17N2OS.HI/c1-17-13-5-3-12(4-6-13)11-18-14-9-15-7-2-8-16(15)10-14;/h2-8,14H,9-11H2,1H3;1H/q+1;/p-1