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

Systemtic Name: 1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidin-1-iumyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-1,4-diazepan-1-ium-5-one Formula: C17H25N5O2S+2 MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC(=O)NCC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC(=O)NCC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H23N5O2S/c23-15-5-9-22(10-6-18-15)13-3-7-21(8-4-13)12-16-19-17(20-24-16)14-2-1-11-25-14/h1-2,11,13H,3-10,12H2,(H,18,23)/p+2