N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=CC=CC=C2F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C13H18FN3S/c1-16-7-4-8-17(10-9-16)13(18)15-12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3,(H,15,18)/p+1