5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)CCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C14H20N4OS/c1-17-5-2-6-18(9-8-17)7-3-13-15-14(16-19-13)12-4-10-20-11-12/h4,10-11H,2-3,5-9H2,1H3/p+1