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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-14(2)12-19-18(23)21-8-6-20(7-9-21)13-15-3-4-17-16(11-15)5-10-22-17/h3-4,11H,1,5-10,12-13H2,2H3,(H,19,23)/p+1