1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperidin-1-ium-4-ol Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C16H27NO3/c1-2-16(8-4-3-5-9-16)20-13-15(19)12-17-10-6-14(18)7-11-17/h1,14-15,18-19H,3-13H2/p+1/t15-/m0/s1