[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]azanium

Systemtic Name: [(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]azanium Openeye Name: [(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]ammonium CAS Name: [(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]ammonium IUPAC Name: [(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]azanium Traditional Name: [(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]ammonium Formula: C12H19N4+ MolecularWeight: 219.30606

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)[NH3+]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)[NH3+]

InChI

InChI=1S/C12H18N4/c13-11-2-9-1-10(3-11)5-12(4-9,6-11)16-8-14-7-15-16/h7-10H,1-6,13H2/p+1/t9-,10+,11?,12?