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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-propargyloxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H23N2O4+ MolecularWeight: 271.33272

Click to see the large picture

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/C13H22N2O4/c1-3-9-18-11-12(16)10-14-5-7-15(8-6-14)13(17)19-4-2/h1,12,16H,4-11H2,2H3/p+1/t12-/m1/s1