2,6-diethynyl-1,4-bis(phenylmethyl)piperazine-1,4-diium dichloride

Systemtic Name: 2,6-diethynyl-1,4-bis(phenylmethyl)piperazine-1,4-diium dichloride Openeye Name: 1,4-dibenzyl-2,6-diethynyl-piperazine-1,4-diium dichloride CAS Name: 2,6-diethynyl-1,4-bis(phenylmethyl)piperazine-1,4-diium dichloride IUPAC Name: 1,4-dibenzyl-2,6-diethynylpiperazine-1,4-diium dichloride Traditional Name: 1,4-dibenzyl-2,6-diethynyl-piperazine-1,4-diium dichloride Formula: C22H24Cl2N2 MolecularWeight: 387.34536

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C[NH+](CC([NH+]1CC2=CC=CC=C2)C#C)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C#CC1C[NH+](CC([NH+]1CC2=CC=CC=C2)C#C)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C22H22N2.2ClH/c1-3-21-17-23(15-19-11-7-5-8-12-19)18-22(4-2)24(21)16-20-13-9-6-10-14-20;;/h1-2,5-14,21-22H,15-18H2;2*1H