(2R,6R)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: (2R,6R)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazine-1,4-diium Openeye Name: (2R,6R)-4-(1-adamantyl)-1-benzyl-2,6-diethynyl-piperazine-1,4-diium CAS Name: (2R,6R)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazine-1,4-diium IUPAC Name: (2R,6R)-4-(1-adamantyl)-1-benzyl-2,6-diethynylpiperazine-1,4-diium Traditional Name: (2R,6R)-4-(1-adamantyl)-1-benzyl-2,6-diethynyl-piperazine-1,4-diium Formula: C25H32N2+2 MolecularWeight: 360.53498

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C[NH+](CC([NH+]1CC2=CC=CC=C2)C#C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C#C[C@@H]1C[NH+](C[C@H]([NH+]1CC2=CC=CC=C2)C#C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2/c1-3-23-17-26(25-13-20-10-21(14-25)12-22(11-20)15-25)18-24(4-2)27(23)16-19-8-6-5-7-9-19/h1-2,5-9,20-24H,10-18H2/p+2/t20?,21?,22?,23-,24-,25?/m1/s1