1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C18H27N6O3+ MolecularWeight: 375.44538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CN5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CN5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C18H26N6O3/c25-16(11-23-12-19-17(20-23)24(26)27)21-1-3-22(4-2-21)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-15H,1-11H2/p+1