copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-yl-ethenyl]pyridin-1-ium dichloride iodide

Systemtic Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-yl-ethenyl]pyridin-1-ium dichloride iodide Openeye Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-(1-piperidyl)vinyl]pyridin-1-ium dichloride iodide CAS Name: copper 1-methyl-2-[(Z)-2-(methylthio)-2-(1-piperidinyl)ethenyl]pyridin-1-ium dichloride iodide IUPAC Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-ylethenyl]pyridin-1-ium dichloride iodide Traditional Name: cupric 1-methyl-2-[(Z)-2-(methylthio)-2-piperidino-vinyl]pyridin-1-ium dichloride iodide Formula: C14H21Cl2CuIN2S MolecularWeight: 510.75141

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C(N2CCCCC2)SC.[Cl-].[Cl-].[Cu+2].[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C(/N2CCCCC2)\SC.[Cl-].[Cl-].[Cu+2].[I-]

InChI

InChI=1S/C14H21N2S.2ClH.Cu.HI/c1-15-9-7-4-8-13(15)12-14(17-2)16-10-5-3-6-11-16;;;;/h4,7-9,12H,3,5-6,10-11H2,1-2H3;2*1H;;1H/q+1;;;+2;/p-3