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

Systemtic Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium Openeye Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium CAS Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium IUPAC Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium Traditional Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium Formula: C23H32N2+2 MolecularWeight: 336.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N2/c1-2-5-19(6-3-1)7-4-8-24-9-11-25(12-10-24)23-16-20-13-21(17-23)15-22(14-20)18-23/h1-3,5-6,20-22H,8-18H2/p+2