ethyl 1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21BrClN2O3+ MolecularWeight: 404.70654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H20BrClN2O3/c1-2-23-16(22)11-5-7-20(8-6-11)10-15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,21)/p+1