(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl]-methylazanium Traditional Name: benzyl-[(3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl]-methyl-ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-4-24-19(23)17-10-16(11-20)18(25)22(14(17)2)13-21(3)12-15-8-6-5-7-9-15/h5-10H,4,12-13H2,1-3H3/p+1