4-(1,3-dinitro-4-piperazin-4-ium-1-yl-dibenzo-p-dioxin-2-yl)morpholine

Systemtic Name: 4-(1,3-dinitro-4-piperazin-4-ium-1-yl-dibenzo-p-dioxin-2-yl)morpholine Openeye Name: 4-(1,3-dinitro-4-piperazin-4-ium-1-yl-dibenzo-p-dioxin-2-yl)morpholine CAS Name: 4-[1,3-dinitro-4-(1-piperazin-4-iumyl)-2-dibenzo-p-dioxinyl]morpholine IUPAC Name: 4-(1,3-dinitro-4-piperazin-4-ium-1-yldibenzo-p-dioxin-2-yl)morpholine Traditional Name: 4-(1,3-dinitro-4-piperazin-4-ium-1-yl-dibenzo-p-dioxin-2-yl)morpholine Formula: C20H22N5O7+ MolecularWeight: 444.41798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C(=C(C(=C2[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-])OC5=CC=CC=C5O3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C(=C(C(=C2[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-])OC5=CC=CC=C5O3

InChI

InChI=1S/C20H21N5O7/c26-24(27)16-15(23-9-11-30-12-10-23)18(25(28)29)20-19(17(16)22-7-5-21-6-8-22)31-13-3-1-2-4-14(13)32-20/h1-4,21H,5-12H2/p+1