4-[1-[(2S)-2-oxidanyl-3-phenoxy-propyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol

Systemtic Name: 4-[1-[(2S)-2-oxidanyl-3-phenoxy-propyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol Openeye Name: 4-[1-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol CAS Name: 4-[1-[(2S)-2-hydroxy-3-phenoxypropyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol IUPAC Name: 4-[1-[(2S)-2-hydroxy-3-phenoxypropyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol Traditional Name: 4-[1-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,2,3,6-tetrahydropyridin-1-ium-4-yl]phenol Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=C(C=C2)O)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=C(C=C2)O)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C20H23NO3/c22-18-8-6-16(7-9-18)17-10-12-21(13-11-17)14-19(23)15-24-20-4-2-1-3-5-20/h1-10,19,22-23H,11-15H2/p+1/t19-/m0/s1