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

Systemtic Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(phenoxymethyl)benzofuran-2-yl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(phenoxymethyl)-2-benzofuranyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(phenoxymethyl)benzofuran-2-yl]-[4-(3-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=CSC=C2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

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