[4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(1-phenethyl-4-triazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone Formula: C25H34N5O+ MolecularWeight: 420.57036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CN(N=N5)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CN(N=N5)CCC6=CC=CC=C6

InChI

InChI=1S/C25H33N5O/c31-24(23-18-30(27-26-23)7-6-19-4-2-1-3-5-19)28-8-10-29(11-9-28)25-15-20-12-21(16-25)14-22(13-20)17-25/h1-5,18,20-22H,6-17H2/p+1