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

Systemtic Name: 4-methyl-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3S/c1-17-5-7-18(8-6-17)15(22)16-11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3,(H,16,22)/p+1