spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium]; 2,4,6-trinitrophenolate

Systemtic Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium]; 2,4,6-trinitrophenolate Openeye Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium]; 2,4,6-trinitrophenolate CAS Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium]; 2,4,6-trinitrophenolate IUPAC Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium]; 2,4,6-trinitrophenolate Traditional Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azocan-1-ium] picrate Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+]2(CCC1)CC3=CC=CC=C3C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC[N+]2(CCC1)CC3=CC=CC=C3C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22N.C6H3N3O7/c1-2-6-10-16(11-7-3-1)12-14-8-4-5-9-15(14)13-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8-9H,1-3,6-7,10-13H2;1-2,10H/q+1;/p-1