(6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C19H21N4O5S+ MolecularWeight: 417.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

CCC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O5S/c1-2-5-22(10-17-20-21-19(28-17)16-4-3-6-29-16)9-13-7-15(23(24)25)8-14-11-26-12-27-18(13)14/h3-4,6-8H,2,5,9-12H2,1H3/p+1