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

Systemtic Name: N-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-cyclohexyl-piperazin-4-ium-1-carbothioamide Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H29N3OS/c25-20(21-18-4-2-1-3-5-18)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-24-19/h6-7,14,18H,1-5,8-13,15H2,(H,21,25)/p+1