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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(2-thienylmethoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(2-thenyloxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H25N2O4S+ MolecularWeight: 329.435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCC2=CC=CS2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCC2=CC=CS2)O

InChI

InChI=1S/C15H24N2O4S/c1-2-21-15(19)17-7-5-16(6-8-17)10-13(18)11-20-12-14-4-3-9-22-14/h3-4,9,13,18H,2,5-8,10-12H2,1H3/p+1/t13-/m1/s1