(3R,4R)-4-tert-butyl-2,3,5-trimethyl-1-phenyl-3,4-dihydropyrazol-1-ium

Systemtic Name: (3R,4R)-4-tert-butyl-2,3,5-trimethyl-1-phenyl-3,4-dihydropyrazol-1-ium Openeye Name: (3R,4R)-4-tert-butyl-2,3,5-trimethyl-1-phenyl-3,4-dihydropyrazol-1-ium CAS Name: (3R,4R)-4-tert-butyl-2,3,5-trimethyl-1-phenyl-3,4-dihydropyrazol-1-ium IUPAC Name: (3R,4R)-4-tert-butyl-2,3,5-trimethyl-1-phenyl-3,4-dihydropyrazol-1-ium Traditional Name: (4R,5R)-4-tert-butyl-1,3,5-trimethyl-2-phenyl-2-pyrazolin-2-ium Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=[N+](N1C)C2=CC=CC=C2)C)C(C)(C)C

Isomeric SMILES

C[C@@H]1[C@H](C(=[N+](N1C)C2=CC=CC=C2)C)C(C)(C)C

InChI

InChI=1S/C16H25N2/c1-12-15(16(3,4)5)13(2)18(17(12)6)14-10-8-7-9-11-14/h7-12,15H,1-6H3/q+1/t12-,15-/m1/s1