1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H27F3N3OS+ MolecularWeight: 426.51879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3OS/c1-15(2)26-10-8-18(9-11-26)27(14-19-7-4-12-28-19)20(29)25-17-6-3-5-16(13-17)21(22,23)24/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,25,29)/p+1