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

Systemtic Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-yl-ethenyl]quinolin-1-ium dichloride iodide Openeye Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-(1-piperidyl)vinyl]quinolin-1-ium dichloride iodide CAS Name: copper 1-methyl-2-[(Z)-2-(methylthio)-2-(1-piperidinyl)ethenyl]quinolin-1-ium dichloride iodide IUPAC Name: copper 1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-ylethenyl]quinolin-1-ium dichloride iodide Traditional Name: cupric 1-methyl-2-[(Z)-2-(methylthio)-2-piperidino-vinyl]quinolin-1-ium dichloride iodide Formula: C18H23Cl2CuIN2S MolecularWeight: 560.81009

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCCC3)SC.[Cl-].[Cl-].[Cu+2].[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(/N3CCCCC3)\SC.[Cl-].[Cl-].[Cu+2].[I-]

InChI

InChI=1S/C18H23N2S.2ClH.Cu.HI/c1-19-16(11-10-15-8-4-5-9-17(15)19)14-18(21-2)20-12-6-3-7-13-20;;;;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3;2*1H;;1H/q+1;;;+2;/p-3