4-(azepan-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol

Systemtic Name: 4-(azepan-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol Openeye Name: 4-(azepan-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol CAS Name: 4-(1-azepan-1-iumyl)-1,1-diphenyl-2-butyn-1-ol IUPAC Name: 4-(azepan-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol Traditional Name: 4-(azepan-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol Formula: C22H26NO+ MolecularWeight: 320.44794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO/c24-22(20-12-5-3-6-13-20,21-14-7-4-8-15-21)16-11-19-23-17-9-1-2-10-18-23/h3-8,12-15,24H,1-2,9-10,17-19H2/p+1