dioxidanium; dizinc; but-2-enedioic acid; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide

Systemtic Name: dioxidanium; dizinc; but-2-enedioic acid; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Openeye Name: dioxonium; dizinc; but-2-enedioic acid; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide CAS Name: dioxonium; dizinc; but-2-enedioic acid; 2-(2-piperidin-1-idyl)piperidin-1-ide; 6-(2-piperidin-1-idyl)-2H-pyridin-1-ide IUPAC Name: dioxidanium; dizinc; but-2-enedioic acid; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Traditional Name: dioxonium; dizinc; but-2-enedioic acid; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide Formula: C28H46N4O10Zn2+2 MolecularWeight: 729.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2=CC=CC[N-]2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.[OH3+].[OH3+].[Zn+2].[Zn+2]

Isomeric SMILES

C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2=CC=CC[N-]2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.[OH3+].[OH3+].[Zn+2].[Zn+2]

InChI

InChI=1S/C10H18N2.C10H14N2.2C4H4O4.2H2O.2Zn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3(6)1-2-4(7)8;;;;/h9-10H,1-8H2;1,3,5,10H,2,4,6-8H2;2*1-2H,(H,5,6)(H,7,8);2*1H2;;/q2*-2;;;;;2*+2/p+2