1-benzofuran-2-ylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: benzofuran-2-ylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 2-benzofuranylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: benzofuran-2-ylmethyl-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C22H21FN3O+ MolecularWeight: 362.420043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3F)[NH2+]CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[C@H](C2=C(C1)N(N=C2)C3=CC=CC=C3F)[NH2+]CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H20FN3O/c23-18-7-2-3-9-21(18)26-20-10-5-8-19(17(20)14-25-26)24-13-16-12-15-6-1-4-11-22(15)27-16/h1-4,6-7,9,11-12,14,19,24H,5,8,10,13H2/p+1/t19-/m1/s1