[(3R)-1-[(4-ethynylphenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(4-ethynylphenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(4-ethynylphenyl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(4-ethynylphenyl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(4-ethynylphenyl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(4-ethynylbenzyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C23H28NO+ MolecularWeight: 334.47452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO/c1-2-20-9-11-22(12-10-20)17-24-16-6-14-23(18-24,19-25)15-13-21-7-4-3-5-8-21/h1,3-5,7-12,25H,6,13-19H2/p+1/t23-/m0/s1