1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]piperazine iodide

Systemtic Name: 1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]piperazine iodide Openeye Name: 1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-vinyl]piperazine iodide CAS Name: 1-methyl-4-[(E)-2-(1-methyl-2-pyridin-1-iumyl)-1-(methylthio)ethenyl]piperazine iodide IUPAC Name: 1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanylethenyl]piperazine iodide Traditional Name: 1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)-1-(methylthio)vinyl]piperazine iodide Formula: C14H22IN3S MolecularWeight: 391.31405

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=CC2=CC=CC=[N+]2C)SC.[I-]

Isomeric SMILES

CN1CCN(CC1)/C(=C\C2=CC=CC=[N+]2C)/SC.[I-]

InChI

InChI=1S/C14H22N3S.HI/c1-15-8-10-17(11-9-15)14(18-3)12-13-6-4-5-7-16(13)2;/h4-7,12H,8-11H2,1-3H3;1H/q+1;/p-1