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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-(cyclopropylamino)-2-keto-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C15H20N3O5+ MolecularWeight: 322.3364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3CC3

InChI

InChI=1S/C15H19N3O5/c1-17(7-14(19)16-12-2-3-12)6-10-4-13(18(20)21)5-11-8-22-9-23-15(10)11/h4-5,12H,2-3,6-9H2,1H3,(H,16,19)/p+1