[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[3-(2-phenylethynyl)phenyl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c24-16-15-22-11-13-23(14-12-22)21(25)20-8-4-7-19(17-20)10-9-18-5-2-1-3-6-18/h1-8,17,24H,11-16H2/p+1