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

Systemtic Name: ethyl 4-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25BrN3O3+ MolecularWeight: 399.3027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(C)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](C)C2=CC=CC=C2Br

InChI

InChI=1S/C17H24BrN3O3/c1-3-24-17(23)21-10-8-20(9-11-21)12-16(22)19-13(2)14-6-4-5-7-15(14)18/h4-7,13H,3,8-12H2,1-2H3,(H,19,22)/p+1/t13-/m1/s1