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

Systemtic Name: 1-(2,4-dinitro-3-piperidin-1-yl-dibenzo-p-dioxin-1-yl)piperazin-4-ium Openeye Name: 1-[2,4-dinitro-3-(1-piperidyl)dibenzo-p-dioxin-1-yl]piperazin-4-ium CAS Name: 1-[2,4-dinitro-3-(1-piperidinyl)-1-dibenzo-p-dioxinyl]piperazin-4-ium IUPAC Name: 1-(2,4-dinitro-3-piperidin-1-yldibenzo-p-dioxin-1-yl)piperazin-4-ium Traditional Name: 1-(2,4-dinitro-3-piperidino-dibenzo-p-dioxin-1-yl)piperazin-4-ium Formula: C21H24N5O6+ MolecularWeight: 442.44516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=C3C(=C2[N+](=O)[O-])OC4=CC=CC=C4O3)N5CC[NH2+]CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=C3C(=C2[N+](=O)[O-])OC4=CC=CC=C4O3)N5CC[NH2+]CC5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6/c27-25(28)17-16(23-10-4-1-5-11-23)19(26(29)30)21-20(18(17)24-12-8-22-9-13-24)31-14-6-2-3-7-15(14)32-21/h2-3,6-7,22H,1,4-5,8-13H2/p+1