2-[cycloheptylcarbamothioyl-[(2-fluorophenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cycloheptylcarbamothioyl-[(2-fluorophenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cycloheptylcarbamothioyl-[(2-fluorophenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]-[(2-fluorophenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cycloheptylcarbamothioyl-[(2-fluorophenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cycloheptylthiocarbamoyl-(2-fluorobenzyl)amino]ethyl-dimethyl-ammonium Formula: C19H31FN3S+ MolecularWeight: 352.532943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1F)C(=S)NC2CCCCCC2

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1F)C(=S)NC2CCCCCC2

InChI

InChI=1S/C19H30FN3S/c1-22(2)13-14-23(15-16-9-7-8-12-18(16)20)19(24)21-17-10-5-3-4-6-11-17/h7-9,12,17H,3-6,10-11,13-15H2,1-2H3,(H,21,24)/p+1