2-pyridin-1-ium-4-ylethyl carbamimidothioate

Systemtic Name: 2-pyridin-1-ium-4-ylethyl carbamimidothioate Openeye Name: 2-(2-pyridin-1-ium-4-ylethyl)isothiourea CAS Name: carbamimidothioic acid 2-(4-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-4-ylethyl carbamimidothioate Traditional Name: 2-(2-pyridin-1-ium-4-ylethyl)isothiourea Formula: C8H12N3S+ MolecularWeight: 182.26598

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1CCSC(=N)N

Isomeric SMILES

C1=C[NH+]=CC=C1CCSC(=N)N

InChI

InChI=1S/C8H11N3S/c9-8(10)12-6-3-7-1-4-11-5-2-7/h1-2,4-5H,3,6H2,(H3,9,10)/p+1