1-[5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H22N2O3S/c1-14(23)18-4-5-19(26-18)20(24)22-9-7-21(8-10-22)13-15-2-3-17-16(12-15)6-11-25-17/h2-5,12H,6-11,13H2,1H3/p+1