2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C12H22N3+ MolecularWeight: 208.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)[N+]2=C(C=CN2)N

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)[N+]2=C(C=CN2)N

InChI

InChI=1S/C12H21N3/c1-9-6-10(8-12(2,3)7-9)15-11(13)4-5-14-15/h4-5,9-10H,6-8H2,1-3H3,(H2,13,14)/p+1/t9-,10-/m0/s1