[1-azanyl-3-(cyclohexylamino)-3-oxidanylidene-propylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]azanium

Systemtic Name: [1-azanyl-3-(cyclohexylamino)-3-oxidanylidene-propylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]azanium Openeye Name: [1-amino-3-(cyclohexylamino)-3-oxo-propylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ammonium CAS Name: [1-amino-3-(cyclohexylamino)-3-oxopropylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ammonium IUPAC Name: [1-amino-3-(cyclohexylamino)-3-oxopropylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]azanium Traditional Name: [1-amino-3-(cyclohexylamino)-3-keto-propylidene]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ammonium Formula: C18H25N4O6+ MolecularWeight: 393.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC(=[NH+]OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CC(=[NH+]OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)N

InChI

InChI=1S/C18H24N4O6/c19-16(8-17(23)20-14-4-2-1-3-5-14)21-28-10-13-7-15(22(24)25)6-12-9-26-11-27-18(12)13/h6-7,14H,1-5,8-11H2,(H2,19,21)(H,20,23)/p+1