1-(2-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(2-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(2-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(2-fluorophenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(2-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(2-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C14H16FN4S+ MolecularWeight: 291.367043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NCCNC2=CC=CC=[NH+]2)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NCCNC2=CC=CC=[NH+]2)F

InChI

InChI=1S/C14H15FN4S/c15-11-5-1-2-6-12(11)19-14(20)18-10-9-17-13-7-3-4-8-16-13/h1-8H,9-10H2,(H,16,17)(H2,18,19,20)/p+1