1-[[2,6-bis(chloranyl)phenyl]methyl]pyridin-1-ium-3-carbothioamide iodide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methyl]pyridin-1-ium-3-carbothioamide iodide Openeye Name: 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carbothioamide iodide CAS Name: 1-[(2,6-dichlorophenyl)methyl]-3-pyridin-1-iumcarbothioamide iodide IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carbothioamide iodide Traditional Name: 1-(2,6-dichlorobenzyl)pyridin-1-ium-3-carbothioamide iodide Formula: C13H11Cl2IN2S MolecularWeight: 425.11531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C[N+]2=CC=CC(=C2)C(=S)N)Cl.[I-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C[N+]2=CC=CC(=C2)C(=S)N)Cl.[I-]

InChI

InChI=1S/C13H10Cl2N2S.HI/c14-11-4-1-5-12(15)10(11)8-17-6-2-3-9(7-17)13(16)18;/h1-7H,8H2,(H-,16,18);1H