furan-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: furan-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CO2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CO2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H18N4O3S/c22-17(13-4-1-10-23-13)21-7-3-6-20(8-9-21)12-15-18-16(19-24-15)14-5-2-11-25-14/h1-2,4-5,10-11H,3,6-9,12H2/p+1