1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H20F6N3OS+ MolecularWeight: 416.404919

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H19F6N3OS/c17-15(18,19)11-8-12(16(20,21)22)10-13(9-11)24-14(27)23-2-1-3-25-4-6-26-7-5-25/h8-10H,1-7H2,(H2,23,24,27)/p+1