4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C17H25N3OS/c1-2-6-18-17(22)20-9-7-19(8-10-20)13-14-3-4-16-15(12-14)5-11-21-16/h3-4,12H,2,5-11,13H2,1H3,(H,18,22)/p+1