1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-isopentyl-1-(1-pyridin-1-ium-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-methylbutyl)-1-[1-(2-pyridin-1-iumyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-isoamyl-1-(1-pyridin-1-ium-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C20H25F3N3S+ MolecularWeight: 396.49281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H24F3N3S/c1-14(2)10-12-26(15(3)18-9-4-5-11-24-18)19(27)25-17-8-6-7-16(13-17)20(21,22)23/h4-9,11,13-15H,10,12H2,1-3H3,(H,25,27)/p+1