1-morpholin-4-yl-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-morpholino-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-morpholinyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-morpholin-4-yl-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-morpholino-3-[1-[2-(2-phenylethynyl)benzyl]piperidin-1-ium-4-yl]propan-1-one Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2/c30-27(29-18-20-31-21-19-29)13-11-24-14-16-28(17-15-24)22-26-9-5-4-8-25(26)12-10-23-6-2-1-3-7-23/h1-9,24H,11,13-22H2/p+1