1-[(2S)-3-(2,3-dimethylphenoxy)-2-oxidanyl-propyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-3-(2,3-dimethylphenoxy)-2-oxidanyl-propyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol CAS Name: 1-[(2S)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethyl-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-1-ium-4-ol Traditional Name: 1-[(2S)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol Formula: C20H34NO3+ MolecularWeight: 336.48886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(C[NH+]2C(CC(CC2(C)C)O)(C)C)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC[C@H](C[NH+]2C(CC(CC2(C)C)O)(C)C)O)C

InChI

InChI=1S/C20H33NO3/c1-14-8-7-9-18(15(14)2)24-13-17(23)12-21-19(3,4)10-16(22)11-20(21,5)6/h7-9,16-17,22-23H,10-13H2,1-6H3/p+1/t17-/m0/s1