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

Systemtic Name: 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H18N2O2S/c21-18(17-11-15-3-1-2-4-16(15)22-17)20-8-6-19(7-9-20)12-14-5-10-23-13-14/h1-5,10-11,13H,6-9,12H2/p+1