[(3-chloranyl-4-ethoxy-phenyl)methyl-diethyl-azaniumyl]methanedithioate

Systemtic Name: [(3-chloranyl-4-ethoxy-phenyl)methyl-diethyl-azaniumyl]methanedithioate Openeye Name: [(3-chloro-4-ethoxy-phenyl)methyl-diethyl-ammonio]methanedithioate CAS Name: [(3-chloro-4-ethoxyphenyl)methyl-diethylammonio]methanedithioate IUPAC Name: [(3-chloro-4-ethoxyphenyl)methyl-diethylazaniumyl]methanedithioate Traditional Name: [(3-chloro-4-ethoxy-benzyl)-diethyl-ammonio]methanedithioate Formula: C14H20ClNOS2 MolecularWeight: 317.8977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC1=CC(=C(C=C1)OCC)Cl)C(=S)[S-]

Isomeric SMILES

CC[N+](CC)(CC1=CC(=C(C=C1)OCC)Cl)C(=S)[S-]

InChI

InChI=1S/C14H20ClNOS2/c1-4-16(5-2,14(18)19)10-11-7-8-13(17-6-3)12(15)9-11/h7-9H,4-6,10H2,1-3H3