3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole

Systemtic Name: 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole Openeye Name: 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole CAS Name: 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(1-pyrrolidin-1-iumylmethyl)pyrazole IUPAC Name: 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole Traditional Name: 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCCC4

InChI

InChI=1S/C21H22FN3O/c1-26-20-9-7-19(8-10-20)25-15-17(14-24-11-2-3-12-24)21(23-25)16-5-4-6-18(22)13-16/h4-10,13,15H,2-3,11-12,14H2,1H3/p+1