1-pyridin-3-yl-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone bromide hydrobromide

Systemtic Name: 1-pyridin-3-yl-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone bromide hydrobromide Openeye Name: 1-(3-pyridyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone bromide hydrobromide CAS Name: 1-(3-pyridinyl)-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone bromide hydrobromide IUPAC Name: 1-pyridin-3-yl-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone bromide hydrobromide Traditional Name: 1-(3-pyridyl)-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone bromide hydrobromide Formula: C14H16Br2N2OS3 MolecularWeight: 484.29264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CN=CC=C3)C1.Br.[Br-]

Isomeric SMILES

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CN=CC=C3)C1.Br.[Br-]

InChI

InChI=1S/C14H15N2OS3.2BrH/c17-12(11-4-3-5-15-9-11)10-18-14-8-13(19-20-14)16-6-1-2-7-16;;/h3-5,8-9H,1-2,6-7,10H2;2*1H/q+1;;/p-1