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

Systemtic Name: methyl 6-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylamino]-5-cyano-2-methyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-[[3-(4-chlorophenyl)isoxazol-5-yl]methylamino]-5-cyano-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 6-[[3-(4-chlorophenyl)-5-isoxazolyl]methylamino]-5-cyano-2-methyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylamino]-5-cyano-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-[[3-(4-chlorophenyl)isoxazol-5-yl]methylamino]-5-cyano-2-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C19H16ClN4O3+ MolecularWeight: 383.80834

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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)Cl)C#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O3/c1-11-16(19(25)26-2)7-13(9-21)18(23-11)22-10-15-8-17(24-27-15)12-3-5-14(20)6-4-12/h3-8H,10H2,1-2H3,(H,22,23)/p+1