4-[(1S)-1-oxidanyl-1-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol

Systemtic Name: 4-[(1S)-1-oxidanyl-1-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S)-1-hydroxy-1-phenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S)-1-hydroxy-1-phenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C20H26NO2+ MolecularWeight: 312.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c22-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-21-14-5-2-6-15-21/h1,3-4,7-12,22-23H,2,5-6,13-16H2/p+1/t20-/m0/s1