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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCSC(=N)N

Isomeric SMILES

C1=CC=[N+](C=C1)CCSC(=N)N

InChI

InChI=1S/C8H12N3S/c9-8(10)12-7-6-11-4-2-1-3-5-11/h1-5H,6-7H2,(H3,9,10)/q+1