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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C26H33NO2/c28-20-5-4-9-24-11-13-25(14-12-24)21-27-18-16-26(22-29,17-19-27)15-6-10-23-7-2-1-3-8-23/h1-3,7-8,11-14,28-29H,5-6,10,15-22H2/p+1