1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]thiourea Formula: C18H27F3N3O2S+ MolecularWeight: 406.48609

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H26F3N3O2S/c1-2-10-26-16-5-4-14(18(19,20)21)13-15(16)23-17(27)22-6-3-7-24-8-11-25-12-9-24/h4-5,13H,2-3,6-12H2,1H3,(H2,22,23,27)/p+1