5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol chloride

Systemtic Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol chloride Openeye Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol chloride CAS Name: 5-(1-azepan-1-iumyl)-1-phenyl-1-(4-phenylphenyl)-3-pentyn-1-ol chloride IUPAC Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol chloride Traditional Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol chloride Formula: C29H32ClNO MolecularWeight: 446.02348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C29H31NO.ClH/c31-29(27-15-7-4-8-16-27,21-9-12-24-30-22-10-1-2-11-23-30)28-19-17-26(18-20-28)25-13-5-3-6-14-25;/h3-8,13-20,31H,1-2,10-11,21-24H2;1H