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

Systemtic Name: 1-(3-phenylprop-2-ynyl)-4-pyridin-2-yl-piperazine-1,4-diium dichloride Openeye Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridyl)piperazine-1,4-diium dichloride CAS Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridinyl)piperazine-1,4-diium dichloride IUPAC Name: 1-(3-phenylprop-2-ynyl)-4-pyridin-2-ylpiperazine-1,4-diium dichloride Traditional Name: 1-(3-phenylprop-2-ynyl)-4-(2-pyridyl)piperazine-1,4-diium dichloride Formula: C18H21Cl2N3 MolecularWeight: 350.28544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3.2ClH/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;2*1H