methyl N'-(4-chlorophenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate

Systemtic Name: methyl N'-(4-chlorophenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-methyl-1-pyridin-1-ium-1-yl-isothiourea CAS Name: N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-methyl-1-pyridin-1-ium-1-yl-isothiourea Formula: C13H13ClN3S+ MolecularWeight: 278.78042

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)Cl)N[N+]2=CC=CC=C2

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)Cl)N[N+]2=CC=CC=C2

InChI

InChI=1S/C13H13ClN3S/c1-18-13(16-17-9-3-2-4-10-17)15-12-7-5-11(14)6-8-12/h2-10H,1H3,(H,15,16)/q+1