copper; N1-piperidin-1-id-2-yl-N4-piperidin-1-ium-2-yl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-diamine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-pyridin-2-yl-azanium; dihydrate

Systemtic Name: copper; N1-piperidin-1-id-2-yl-N4-piperidin-1-ium-2-yl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-diamine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-pyridin-2-yl-azanium; dihydrate Openeye Name: copper; N1-piperidin-1-id-2-yl-N4-piperidin-1-ium-2-yl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-diamine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-(2-pyridyl)ammonium; dihydrate CAS Name: copper; N1-(2-piperidin-1-idyl)-N4-(2-piperidin-1-iumyl)-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-diamine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-(2-pyridinyl)ammonium; dihydrate IUPAC Name: copper; 1-N-piperidin-1-id-2-yl-4-N-piperidin-1-ium-2-yl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-diamine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-pyridin-2-ylazanium; dihydrate Traditional Name: cupric; piperidin-1-id-2-yl-[4-(piperidin-1-ium-2-ylamino)-4a,5,6,7,8,8a-hexahydrophthalazin-1-yl]amine; [4-(2H-pyridin-1-id-6-ylamino)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-ylidene]-(2-pyridyl)ammonium; dihydrate Formula: C36H58CuN12O2+2 MolecularWeight: 754.47092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=[NH+]C3=CC=CC=N3)NN=C2NC4=CC=CC[N-]4.C1CCC2C(C1)C(=NN=C2NC3CCCC[N-]3)NC4CCCC[NH2+]4.O.O.[Cu+2]

Isomeric SMILES

C1CCC2C(C1)C(=[NH+]C3=CC=CC=N3)NN=C2NC4=CC=CC[N-]4.C1CCC2C(C1)C(=NN=C2NC3CCCC[N-]3)NC4CCCC[NH2+]4.O.O.[Cu+2]

InChI

InChI=1S/C18H31N6.C18H21N6.Cu.2H2O/c2*1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-24-18(14)22-16-10-4-6-12-20-16;;;/h13-16,19H,1-12H2,(H,21,23)(H,22,24);3-6,9-11,13-14H,1-2,7-8,12H2,(H,22,24)(H,19,21,23);;2*1H2/q2*-1;+2;;/p+2