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

Systemtic Name: (phenylmethyl) 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridin-1-iumyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]thio]acetic acid benzyl ester Formula: C23H19N4O3S+ MolecularWeight: 431.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OCC3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C23H18N4O3S/c1-29-17-9-7-16(8-10-17)21-18(11-24)22(26)27-23(19(21)12-25)31-14-20(28)30-13-15-5-3-2-4-6-15/h2-10H,13-14H2,1H3,(H2,26,27)/p+1