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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H27N3O2S/c25-19(20-13-17-2-1-10-23-17)22-8-6-21(7-9-22)14-15-3-4-18-16(12-15)5-11-24-18/h3-4,12,17H,1-2,5-11,13-14H2,(H,20,25)/p+1/t17-/m1/s1