methyl 5-cyano-6-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-methyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-6-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-methyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-6-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylamino]-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylamino]-2-methyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylamino]-2-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C20H19N4O4+ MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=C(C=C3)OC)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=C(C=C3)OC)C#N)C(=O)OC

InChI

InChI=1S/C20H18N4O4/c1-12-17(20(25)27-3)8-14(10-21)19(23-12)22-11-16-9-18(24-28-16)13-4-6-15(26-2)7-5-13/h4-9H,11H2,1-3H3,(H,22,23)/p+1