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

Systemtic Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(phenoxymethyl)benzofuran-2-yl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(phenoxymethyl)-2-benzofuranyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(phenoxymethyl)benzofuran-2-yl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C25H25N2O3S+ MolecularWeight: 433.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C25H24N2O3S/c28-25(27-14-12-26(13-15-27)17-20-9-6-16-31-20)24-22(18-29-19-7-2-1-3-8-19)21-10-4-5-11-23(21)30-24/h1-11,16H,12-15,17-18H2/p+1