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

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methyl]pyridin-1-ium-3-carbothioamide Openeye Name: 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carbothioamide CAS Name: 1-[(2,6-dichlorophenyl)methyl]-3-pyridin-1-iumcarbothioamide IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carbothioamide Traditional Name: 1-(2,6-dichlorobenzyl)pyridin-1-ium-3-carbothioamide Formula: C13H11Cl2N2S+ MolecularWeight: 298.21084

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2S/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)/p+1