O3-ethyl O5-methyl 2-[(4-chlorophenyl)methylamino]-6-methyl-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-[(4-chlorophenyl)methylamino]-6-methyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(4-chlorophenyl)methylamino]-6-methyl-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2-[(4-chlorophenyl)methylamino]-6-methylpyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-[(4-chlorophenyl)methylamino]-6-methylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 2-[(4-chlorobenzyl)amino]-6-methyl-pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C18H20ClN2O4+ MolecularWeight: 363.8154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O4/c1-4-25-18(23)15-9-14(17(22)24-3)11(2)21-16(15)20-10-12-5-7-13(19)8-6-12/h5-9H,4,10H2,1-3H3,(H,20,21)/p+1