1-butyl-3-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]urea

Systemtic Name: 1-butyl-3-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]urea Openeye Name: 1-butyl-3-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]urea CAS Name: 1-butyl-3-[2-[[5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]urea IUPAC Name: 1-butyl-3-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]urea Traditional Name: 1-butyl-3-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]urea Formula: C13H20F3N4O+ MolecularWeight: 305.31931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCNC1=[NH+]C=C(C=C1)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)NCCNC1=[NH+]C=C(C=C1)C(F)(F)F

InChI

InChI=1S/C13H19F3N4O/c1-2-3-6-18-12(21)19-8-7-17-11-5-4-10(9-20-11)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,17,20)(H2,18,19,21)/p+1