(4-chlorophenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl]-methyl-azanium

Systemtic Name: (4-chlorophenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl]-methylazanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-(4-chlorobenzyl)-methyl-ammonium Formula: C19H21ClN3O2S+ MolecularWeight: 390.90694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C19H20ClN3O2S/c1-4-25-19(24)17-9-15(10-21)18(26)23(13(17)2)12-22(3)11-14-5-7-16(20)8-6-14/h5-9H,4,11-12H2,1-3H3/p+1