phenyl-[4-(3-phenylprop-2-ynyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-(3-phenylprop-2-ynyl)piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-(3-phenylprop-2-ynyl)piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-(3-phenylprop-2-ynyl)-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-(3-phenylprop-2-ynyl)piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-(3-phenylprop-2-ynyl)piperazin-4-ium-1-yl]methanone Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC#CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O/c23-20(19-11-5-2-6-12-19)22-16-14-21(15-17-22)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12H,13-17H2/p+1