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

Systemtic Name: 4-[4-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[4-(hydroxymethyl)-4-phenethyl-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[4-(hydroxymethyl)-4-phenethylpiperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[(4-methylol-4-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+]2CCC(CC2)(CCC3=CC=CC=C3)CO)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCC3=CC=CC=C3)CO)O

InChI

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