2-methyl-4-[4-[[(3R)-3-phenylazanylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[(3R)-3-phenylazanylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 4-[4-[[(3R)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[(3R)-3-anilino-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[(3R)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[[(3R)-3-anilinopiperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)NC3=CC=CC=C3)O

InChI

InChI=1S/C23H28N2O/c1-23(2,26)15-14-19-10-12-20(13-11-19)17-25-16-6-9-22(18-25)24-21-7-4-3-5-8-21/h3-5,7-8,10-13,22,24,26H,6,9,16-18H2,1-2H3/p+1/t22-/m1/s1