methyl 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-keto-2-mesidino-ethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C18H26N2O3/c1-12-9-13(2)17(14(3)10-12)19-16(21)11-20-7-5-15(6-8-20)18(22)23-4/h9-10,15H,5-8,11H2,1-4H3,(H,19,21)/p+1