(1R)-4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol

Systemtic Name: (1R)-4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol Openeye Name: (1R)-4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol CAS Name: (1R)-4-(1-azepan-1-iumyl)-1-(3-fluorophenyl)-1-phenyl-2-butyn-1-ol IUPAC Name: (1R)-4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol Traditional Name: (1R)-4-(azepan-1-ium-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol Formula: C22H25FNO+ MolecularWeight: 338.438403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2=CC=CC=C2)(C3=CC(=CC=C3)F)O

Isomeric SMILES

C1CCC[NH+](CC1)CC#C[C@@](C2=CC=CC=C2)(C3=CC(=CC=C3)F)O

InChI

InChI=1S/C22H24FNO/c23-21-13-8-12-20(18-21)22(25,19-10-4-3-5-11-19)14-9-17-24-15-6-1-2-7-16-24/h3-5,8,10-13,18,25H,1-2,6-7,15-17H2/p+1/t22-/m1/s1