(4-methylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O/c1-21-13-15-22(16-14-21)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12H,13-16H2,1H3/p+1