1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-methyl-2-(trifluoromethyl)-3-furyl]urea CAS Name: 1-[5-methyl-2-(trifluoromethyl)-3-furanyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-methyl-2-(trifluoromethyl)furan-3-yl]urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-methyl-2-(trifluoromethyl)-3-furyl]urea Formula: C19H23F3N3O2+ MolecularWeight: 382.40003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(F)(F)F)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(O1)C(F)(F)F)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22F3N3O2/c1-13-11-16(17(27-13)19(20,21)22)24-18(26)23-15-7-9-25(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H2,23,24,26)/p+1