1-(1-adamantyl)-4-oct-2-ynyl-piperazine-1,4-diium

Systemtic Name: 1-(1-adamantyl)-4-oct-2-ynyl-piperazine-1,4-diium Openeye Name: 1-(1-adamantyl)-4-oct-2-ynyl-piperazine-1,4-diium CAS Name: 1-(1-adamantyl)-4-oct-2-ynylpiperazine-1,4-diium IUPAC Name: 1-(1-adamantyl)-4-oct-2-ynylpiperazine-1,4-diium Traditional Name: 1-(1-adamantyl)-4-oct-2-ynyl-piperazine-1,4-diium Formula: C22H38N2+2 MolecularWeight: 330.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC[NH+]1CC[NH+](CC1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCC#CC[NH+]1CC[NH+](CC1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H36N2/c1-2-3-4-5-6-7-8-23-9-11-24(12-10-23)22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,2-5,8-18H2,1H3/p+2