1-(3-fluoranyl-4-methyl-phenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C19H25FN3OS+ MolecularWeight: 362.484703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)F

InChI

InChI=1S/C19H24FN3OS/c1-14-7-8-15(12-16(14)20)22-19(25)21-13-17(18-6-5-11-24-18)23-9-3-2-4-10-23/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H2,21,22,25)/p+1/t17-/m1/s1