4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H27N3O2S/c25-19(20-15-6-7-17-18(14-15)24-13-12-23-17)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13H2,(H,20,25)/p+1