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

Systemtic Name: methyl 1-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H21Br2N2O3+ MolecularWeight: 449.15754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20Br2N2O3/c1-10-7-12(17)15(13(18)8-10)19-14(21)9-20-5-3-11(4-6-20)16(22)23-2/h7-8,11H,3-6,9H2,1-2H3,(H,19,21)/p+1