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

Systemtic Name: N-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C17H23N3OS/c22-17(18-15-2-3-15)20-8-6-19(7-9-20)12-13-1-4-16-14(11-13)5-10-21-16/h1,4,11,15H,2-3,5-10,12H2,(H,18,22)/p+1