methyl 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: methyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridin-1-iumyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-phenetyl-pyridin-1-ium-2-yl)thio]acetic acid methyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OC)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OC)N)C#N

InChI

InChI=1S/C18H16N4O3S/c1-3-25-12-6-4-11(5-7-12)16-13(8-19)17(21)22-18(14(16)9-20)26-10-15(23)24-2/h4-7H,3,10H2,1-2H3,(H2,21,22)/p+1