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

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-1,1-diphenyl-3-pentyn-1-ol IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/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/p+1