3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2-fluorophenyl)-1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2-fluorophenyl)-1-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2-fluorophenyl)-1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C20H27FN3OS+ MolecularWeight: 376.511283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3OS/c1-15(2)23-11-9-16(10-12-23)24(14-17-6-5-13-25-17)20(26)22-19-8-4-3-7-18(19)21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,22,26)/p+1