1-(3-phenylprop-2-ynyl)-4-pyridin-2-yl-piperazine-1,4-diium

Systemtic Name: 1-(3-phenylprop-2-ynyl)-4-pyridin-2-yl-piperazine-1,4-diium Openeye Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridyl)piperazine-1,4-diium CAS Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridinyl)piperazine-1,4-diium IUPAC Name: 1-(3-phenylprop-2-ynyl)-4-pyridin-2-ylpiperazine-1,4-diium Traditional Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridyl)piperazine-1,4-diium Formula: C18H21N3+2 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C18H19N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,12-16H2/p+2