ethyl 4-[(2S)-3-[(3R)-3-methylpent-1-yn-3-yl]oxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-[(3R)-3-methylpent-1-yn-3-yl]oxy-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-[(1R)-1-ethyl-1-methyl-prop-2-ynoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-3-[(1R)-1-ethyl-1-methyl-prop-2-ynoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H29N2O4+ MolecularWeight: 313.41246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(C[NH+]1CCN(CC1)C(=O)OCC)O

Isomeric SMILES

CC[C@](C)(C#C)OC[C@H](C[NH+]1CCN(CC1)C(=O)OCC)O

InChI

InChI=1S/C16H28N2O4/c1-5-16(4,6-2)22-13-14(19)12-17-8-10-18(11-9-17)15(20)21-7-3/h1,14,19H,6-13H2,2-4H3/p+1/t14-,16-/m0/s1