[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-2-thienyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-2-thienyl)methanone Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C21H26N2O2S/c1-3-19-15(2)12-20(26-19)21(24)23-9-7-22(8-10-23)14-16-4-5-18-17(13-16)6-11-25-18/h4-5,12-13H,3,6-11,14H2,1-2H3/p+1