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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-16-15(20)18-7-5-17(6-8-18)11-12-2-3-14-13(10-12)4-9-19-14/h2-3,10H,4-9,11H2,1H3,(H,16,20)/p+1