(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidene-1-pyridinyl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidenepyridin-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=C(C(=C(C2=S)C#N)C)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=C(C(=C(C2=S)C#N)C)C)C)OC

InChI

InChI=1S/C21H27N3O2S/c1-7-26-19-9-8-17(10-20(19)25-6)12-23(5)13-24-16(4)14(2)15(3)18(11-22)21(24)27/h8-10H,7,12-13H2,1-6H3/p+1