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

Systemtic Name: 4-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[4-methylol-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Formula: C27H36NO2+ MolecularWeight: 406.58024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO)O

InChI

InChI=1S/C27H35NO2/c1-26(2,30)16-14-24-10-12-25(13-11-24)21-28-19-17-27(22-29,18-20-28)15-6-9-23-7-4-3-5-8-23/h3-5,7-8,10-13,29-30H,6,9,15,17-22H2,1-2H3/p+1