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

Systemtic Name: 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(4-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(m-tolylmethyl)thiourea CAS Name: 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-(3-methylbenzyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H29FN3OS+ MolecularWeight: 402.548563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3OS/c1-18-4-2-5-19(16-18)17-26(11-3-10-25-12-14-27-15-13-25)22(28)24-21-8-6-20(23)7-9-21/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,28)/p+1