propyl 2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: propyl 2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: propyl 2-(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridin-1-iumyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(6-amino-3,5-dicyano-4-ethylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)thio]acetic acid propyl ester Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)CC)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)CC)C#N

InChI

InChI=1S/C14H16N4O2S/c1-3-5-20-12(19)8-21-14-11(7-16)9(4-2)10(6-15)13(17)18-14/h3-5,8H2,1-2H3,(H2,17,18)/p+1