methyl 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H24BrN2O3+ MolecularWeight: 384.28806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23BrN2O3/c1-12(14-5-3-4-6-15(14)18)19-16(21)11-20-9-7-13(8-10-20)17(22)23-2/h3-6,12-13H,7-11H2,1-2H3,(H,19,21)/p+1/t12-/m1/s1