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

Systemtic Name: methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-[(2,4-dichlorobenzyl)amino]-2-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H14Cl2N3O2+ MolecularWeight: 351.20726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=C(C=C(C=C2)Cl)Cl)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=C(C=C(C=C2)Cl)Cl)C#N)C(=O)OC

InChI

InChI=1S/C16H13Cl2N3O2/c1-9-13(16(22)23-2)5-11(7-19)15(21-9)20-8-10-3-4-12(17)6-14(10)18/h3-6H,8H2,1-2H3,(H,20,21)/p+1