N-tert-butyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C18H27N5O2S/c1-18(2,3)20-15(24)12-22-7-5-8-23(10-9-22)13-16-19-17(21-25-16)14-6-4-11-26-14/h4,6,11H,5,7-10,12-13H2,1-3H3,(H,20,24)/p+1