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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=C(C=C2)F)C(=S)NC3CCCCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=C(C=C2)F)C(=S)NC3CCCCCC3)C

InChI

InChI=1S/C24H38FN3S/c1-23(2)15-21(16-24(3,4)27-23)28(17-18-11-13-19(25)14-12-18)22(29)26-20-9-7-5-6-8-10-20/h11-14,20-21,27H,5-10,15-17H2,1-4H3,(H,26,29)/p+1