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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(3-thiophenyl)-4-thiazolyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone Formula: C21H22N3O2S2+ MolecularWeight: 412.54828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CSC(=N4)C5=CSC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CSC(=N4)C5=CSC=C5

InChI

InChI=1S/C21H21N3O2S2/c25-21(18-14-28-20(22-18)17-4-10-27-13-17)24-7-5-23(6-8-24)12-15-1-2-19-16(11-15)3-9-26-19/h1-2,4,10-11,13-14H,3,5-9,12H2/p+1