4-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-piperonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O3S/c25-18(19-11-15-2-1-9-22-15)21-7-5-20(6-8-21)12-14-3-4-16-17(10-14)24-13-23-16/h3-4,10,15H,1-2,5-9,11-13H2,(H,19,25)/p+1/t15-/m1/s1