4-[(2R)-2-oxidanyl-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-yl]phenol

Systemtic Name: 4-[(2R)-2-oxidanyl-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-yl]phenol Openeye Name: 4-[(1R)-1-benzyl-1-hydroxy-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(2R)-2-hydroxy-1-phenyl-4-(1-piperidin-1-iumyl)butan-2-yl]phenol IUPAC Name: 4-[(2R)-2-hydroxy-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-yl]phenol Traditional Name: 4-[(1R)-1-benzyl-1-hydroxy-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C21H28NO2+ MolecularWeight: 326.45252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(CC2=CC=CC=C2)(C3=CC=C(C=C3)O)O

Isomeric SMILES

C1CC[NH+](CC1)CC[C@](CC2=CC=CC=C2)(C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H27NO2/c23-20-11-9-19(10-12-20)21(24,17-18-7-3-1-4-8-18)13-16-22-14-5-2-6-15-22/h1,3-4,7-12,23-24H,2,5-6,13-17H2/p+1/t21-/m0/s1