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

Systemtic Name: ethyl 1-[(2S)-3-[(3R)-3-methylpent-1-yn-3-yl]oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-3-[(1R)-1-ethyl-1-methyl-prop-2-ynoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-[(1R)-1-ethyl-1-methyl-prop-2-ynoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-5-17(4,6-2)22-13-15(19)12-18-10-8-14(9-11-18)16(20)21-7-3/h1,14-15,19H,6-13H2,2-4H3/p+1/t15-,17-/m0/s1