1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium Formula: C23H31N2+ MolecularWeight: 335.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CC#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CC#CC5=CC=CC=C5

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+1