ethyl 4-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24N3O6+ MolecularWeight: 354.37826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H23N3O6/c1-2-24-16(21)18-9-7-17(8-10-18)11-14(20)12-25-15-5-3-13(4-6-15)19(22)23/h3-6,14,20H,2,7-12H2,1H3/p+1/t14-/m1/s1