1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole

Systemtic Name: 1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole Openeye Name: 1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole CAS Name: 1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(1-pyrrolidin-1-iumylmethyl)pyrazole IUPAC Name: 1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)pyrazole Traditional Name: 1-(2-fluorophenyl)-3-(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)C2=NN(C=C2C[NH+]3CCCC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O/c1-26-18-10-8-16(9-11-18)21-17(14-24-12-4-5-13-24)15-25(23-21)20-7-3-2-6-19(20)22/h2-3,6-11,15H,4-5,12-14H2,1H3/p+1