N-(3,5-dimethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C14H21N3O2S/c1-16-4-6-17(7-5-16)14(20)15-11-8-12(18-2)10-13(9-11)19-3/h8-10H,4-7H2,1-3H3,(H,15,20)/p+1