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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylthiophen-2-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-2-thienyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(3-phenyl-2-thiophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylthiophen-2-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-2-thienyl)methanone Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=C(C=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=C(C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2O2S/c27-24(23-21(9-15-29-23)19-4-2-1-3-5-19)26-12-10-25(11-13-26)17-18-6-7-22-20(16-18)8-14-28-22/h1-7,9,15-16H,8,10-14,17H2/p+1