3-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-[(4-fluorophenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(4-fluorobenzyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C21H28FN4OS+ MolecularWeight: 403.536623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(CC2=CC=NC=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1CCCN(CC2=CC=NC=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4OS/c22-20-4-2-18(3-5-20)16-24-21(28)26(17-19-6-8-23-9-7-19)11-1-10-25-12-14-27-15-13-25/h2-9H,1,10-17H2,(H,24,28)/p+1