3-(2-fluorophenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 3-(2-fluorophenyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-fluorophenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-(2-fluorophenyl)-1-(phenylmethyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-fluorophenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(2-fluorophenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C20H19FN3S+ MolecularWeight: 352.448363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=C[NH+]=CC=C2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=C[NH+]=CC=C2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H18FN3S/c21-18-10-4-5-11-19(18)23-20(25)24(14-16-7-2-1-3-8-16)15-17-9-6-12-22-13-17/h1-13H,14-15H2,(H,23,25)/p+1