ethyl 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-iodoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-iodoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-iodoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H22IN2O3+ MolecularWeight: 417.26195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C16H21IN2O3/c1-2-22-16(21)12-6-8-19(9-7-12)11-15(20)18-14-5-3-4-13(17)10-14/h3-5,10,12H,2,6-9,11H2,1H3,(H,18,20)/p+1