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

Systemtic Name: 1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-isopropylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-isopropylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H23F3N3S+ MolecularWeight: 346.43413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H22F3N3S/c1-11(2)22-9-7-12(8-10-22)20-15(23)21-14-6-4-3-5-13(14)16(17,18)19/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,23)/p+1