1-[[2,5-bis(methylsulfanyl)-4-(pyridin-1-ium-1-ylmethyl)thiophen-3-yl]methyl]pyridin-1-ium diiodide

Systemtic Name: 1-[[2,5-bis(methylsulfanyl)-4-(pyridin-1-ium-1-ylmethyl)thiophen-3-yl]methyl]pyridin-1-ium diiodide Openeye Name: 1-[[2,5-bis(methylsulfanyl)-4-(pyridin-1-ium-1-ylmethyl)-3-thienyl]methyl]pyridin-1-ium diiodide CAS Name: 1-[[2,5-bis(methylthio)-4-(1-pyridin-1-iumylmethyl)-3-thiophenyl]methyl]pyridin-1-ium diiodide IUPAC Name: 1-[[2,5-bis(methylsulfanyl)-4-(pyridin-1-ium-1-ylmethyl)thiophen-3-yl]methyl]pyridin-1-ium diiodide Traditional Name: 1-[[2,5-bis(methylthio)-4-(pyridin-1-ium-1-ylmethyl)-3-thienyl]methyl]pyridin-1-ium diiodide Formula: C18H20I2N2S3 MolecularWeight: 614.36874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)SC)C[N+]2=CC=CC=C2)C[N+]3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

CSC1=C(C(=C(S1)SC)C[N+]2=CC=CC=C2)C[N+]3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C18H20N2S3.2HI/c1-21-17-15(13-19-9-5-3-6-10-19)16(18(22-2)23-17)14-20-11-7-4-8-12-20;;/h3-12H,13-14H2,1-2H3;2*1H/q+2;;/p-2