1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H22FN4OS+ MolecularWeight: 337.435483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN4OS/c17-14-2-4-15(5-3-14)21(8-1-6-18)16(23)19-7-9-20-10-12-22-13-11-20/h2-5H,1,7-13H2,(H,19,23)/p+1