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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-allyloxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-allyloxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H25N2O4+ MolecularWeight: 273.3486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCC=C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCC=C)O

InChI

InChI=1S/C13H24N2O4/c1-3-9-18-11-12(16)10-14-5-7-15(8-6-14)13(17)19-4-2/h3,12,16H,1,4-11H2,2H3/p+1/t12-/m1/s1