1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]thiourea Formula: C15H22ClFN3S+ MolecularWeight: 330.871683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NC1=CC(=C(C=C1)F)Cl)[NH+]2CCCCC2

Isomeric SMILES

C[C@H](CNC(=S)NC1=CC(=C(C=C1)F)Cl)[NH+]2CCCCC2

InChI

InChI=1S/C15H21ClFN3S/c1-11(20-7-3-2-4-8-20)10-18-15(21)19-12-5-6-14(17)13(16)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,18,19,21)/p+1/t11-/m1/s1