3-cycloheptyl-1-[(2-fluorophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-cycloheptyl-1-[(2-fluorophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-cycloheptyl-1-[(2-fluorophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-cycloheptyl-1-[(2-fluorophenyl)methyl]-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(2-fluorophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-cycloheptyl-1-(2-fluorobenzyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C24H39FN3S+ MolecularWeight: 420.649963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CC=C2F)C(=S)NC3CCCCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CC=C2F)C(=S)NC3CCCCCC3)C

InChI

InChI=1S/C24H38FN3S/c1-23(2)15-20(16-24(3,4)27-23)28(17-18-11-9-10-14-21(18)25)22(29)26-19-12-7-5-6-8-13-19/h9-11,14,19-20,27H,5-8,12-13,15-17H2,1-4H3,(H,26,29)/p+1