ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(2-thenylamino)ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21N3O5S/c1-2-20(10-17(22)19-8-16-4-3-5-27-16)9-13-6-15(21(23)24)7-14-11-25-12-26-18(13)14/h3-7H,2,8-12H2,1H3,(H,19,22)/p+1