CHEBI:104144 - N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester ChEBI ID CHEBI:104144 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H13ClN3S Net Charge +1 Average Mass 278.782 Monoisotopic Mass 278.05132 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 InChIKey VGBPPDQNGDRDDL-UHFFFAOYSA-N SMILES CSC(=NC1=CC=C(C=C1)Cl)N[N+]2=CC=CC=C2 ChEBI Ontology Outgoing N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester (CHEBI:104144) is a organochlorine compound (CHEBI:36683) Manual Xref Database LSM-15503 LINCS View more database links