(4-nitrophenyl)methyl 2-pyridin-1-ium-1-ylethanedithioate chloride

Systemtic Name: (4-nitrophenyl)methyl 2-pyridin-1-ium-1-ylethanedithioate chloride Openeye Name: (4-nitrophenyl)methyl 2-pyridin-1-ium-1-ylethanedithioate chloride CAS Name: 2-(1-pyridin-1-iumyl)ethanedithioic acid (4-nitrophenyl)methyl ester chloride IUPAC Name: (4-nitrophenyl)methyl 2-pyridin-1-ium-1-ylethanedithioate chloride Traditional Name: 2-pyridin-1-ium-1-ylethanedithioic acid (4-nitrobenzyl) ester chloride Formula: C14H13ClN2O2S2 MolecularWeight: 340.84822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=S)SCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=S)SCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H13N2O2S2.ClH/c17-16(18)13-6-4-12(5-7-13)11-20-14(19)10-15-8-2-1-3-9-15;/h1-9H,10-11H2;1H/q+1;/p-1