1-(4-fluorophenyl)-1-pyrrolidin-1-yl-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid

Systemtic Name: 1-(4-fluorophenyl)-1-pyrrolidin-1-yl-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid Openeye Name: 1-(4-fluorophenyl)-1-pyrrolidin-1-yl-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid CAS Name: 1-(4-fluorophenyl)-1-(1-pyrrolidinyl)-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid IUPAC Name: 1-(4-fluorophenyl)-1-pyrrolidin-1-yl-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-1-pyrrolidino-3a,4,5,6,7,7a-hexahydroindazol-1-ium-3-carboxylic acid Formula: C18H23FN3O2+ MolecularWeight: 332.392523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=N[N+]2(C3=CC=C(C=C3)F)N4CCCC4)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(=N[N+]2(C3=CC=C(C=C3)F)N4CCCC4)C(=O)O

InChI

InChI=1S/C18H22FN3O2/c19-13-7-9-14(10-8-13)22(21-11-3-4-12-21)16-6-2-1-5-15(16)17(20-22)18(23)24/h7-10,15-16H,1-6,11-12H2/p+1