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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-propan-2-yloxy-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-isopropoxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-isopropoxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H27N2O4+ MolecularWeight: 275.36448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O4/c1-4-18-13(17)15-7-5-14(6-8-15)9-12(16)10-19-11(2)3/h11-12,16H,4-10H2,1-3H3/p+1/t12-/m1/s1