[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-keto-4-mesidino-butyl) ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C2=CC=[N+](C=C2)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C2=CC=[N+](C=C2)[O-])C

InChI

InChI=1S/C19H22N2O4/c1-13-11-14(2)18(15(3)12-13)20-17(22)5-4-10-25-19(23)16-6-8-21(24)9-7-16/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)