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

Systemtic Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-indan-2-yl-1,4-diazepan-4-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-indan-2-yl-1,4-diazepan-4-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=NC(=NO2)C3=CC=CS3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=NC(=NO2)C3=CC=CS3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C21H24N4OS/c1-2-6-17-14-18(13-16(17)5-1)25-9-4-8-24(10-11-25)15-20-22-21(23-26-20)19-7-3-12-27-19/h1-3,5-7,12,18H,4,8-11,13-15H2/p+1