1-[3-[(2S)-2-oxidanyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[(2S)-2-oxidanyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[3-[(2S)-2-hydroxy-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[3-[(2S)-2-hydroxy-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-2-hydroxy-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[3-[(2S)-2-hydroxy-3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propoxy]phenyl]ethanone Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCC(=CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(=CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO3/c1-17(24)20-8-5-9-22(14-20)26-16-21(25)15-23-12-10-19(11-13-23)18-6-3-2-4-7-18/h2-10,14,21,25H,11-13,15-16H2,1H3/p+1/t21-/m0/s1