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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-thiophen-3-yl-methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-thienyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(3-thiophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-thiophen-3-ylmethanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-thienyl)methanone Formula: C18H21N2O2S+ MolecularWeight: 329.43654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CSC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CSC=C4

InChI

InChI=1S/C18H20N2O2S/c21-18(16-4-10-23-13-16)20-7-5-19(6-8-20)12-14-1-2-17-15(11-14)3-9-22-17/h1-2,4,10-11,13H,3,5-9,12H2/p+1