4-[4-[[(3S)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[(3S)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[(3S)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[(3S)-3-(hydroxymethyl)-3-phenethyl-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[(3S)-3-(hydroxymethyl)-3-phenethylpiperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[(3S)-3-methylol-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Formula: C26H34NO2+ MolecularWeight: 392.55366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@](C2)(CCC3=CC=CC=C3)CO)O

InChI

InChI=1S/C26H33NO2/c1-25(2,29)16-13-23-9-11-24(12-10-23)19-27-18-6-15-26(20-27,21-28)17-14-22-7-4-3-5-8-22/h3-5,7-12,28-29H,6,14-15,17-21H2,1-2H3/p+1/t26-/m1/s1