N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O2S/c24-18(19-14-6-7-16-17(12-14)23-13-22-16)21-10-8-20(9-11-21)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,19,24)/p+1