ethyl N-(pyridin-1-ium-3-ylmethyl)carbamodithioate

Systemtic Name: ethyl N-(pyridin-1-ium-3-ylmethyl)carbamodithioate Openeye Name: ethyl N-(pyridin-1-ium-3-ylmethyl)carbamodithioate CAS Name: N-(3-pyridin-1-iumylmethyl)carbamodithioic acid ethyl ester IUPAC Name: ethyl N-(pyridin-1-ium-3-ylmethyl)carbamodithioate Traditional Name: N-(pyridin-1-ium-3-ylmethyl)carbamodithioic acid ethyl ester Formula: C9H13N2S2+ MolecularWeight: 213.34292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)NCC1=C[NH+]=CC=C1

Isomeric SMILES

CCSC(=S)NCC1=C[NH+]=CC=C1

InChI

InChI=1S/C9H12N2S2/c1-2-13-9(12)11-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3,(H,11,12)/p+1