5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-1,1-diphenyl-3-pentyn-1-ol chloride IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol chloride Formula: C22H27ClN2O MolecularWeight: 370.91558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H26N2O.ClH/c1-23-16-18-24(19-17-23)15-9-8-14-22(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-7,10-13,25H,14-19H2,1H3;1H