3-[2-methyl-1-[[2-[2-[2-(oxidanidylamino)-2-oxidanylidene-ethyl]hexanoyl]-1,2-diazinan-3-yl]carbonylamino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid

Systemtic Name: 3-[2-methyl-1-[[2-[2-[2-(oxidanidylamino)-2-oxidanylidene-ethyl]hexanoyl]-1,2-diazinan-3-yl]carbonylamino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid Openeye Name: 3-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxo-ethyl]hexanoyl]hexahydropyridazine-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid CAS Name: 3-[2-methyl-1-[[[2-[2-[2-(oxidoamino)-2-oxoethyl]-1-oxohexyl]-3-diazinanyl]-oxomethyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid IUPAC Name: 3-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]hexanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid Traditional Name: 3-[1-[[2-[2-[2-keto-2-(oxidoamino)ethyl]hexanoyl]hexahydropyridazine-3-carbonyl]amino]-2-methyl-butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid Formula: C26H42N6O6 MolecularWeight: 534.64828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)N[O-])C(=O)N1C(CCCN1)C(=O)NC(C2=CC=[N+]3N2C(CCC3)C(=O)O)C(C)CC

Isomeric SMILES

CCCCC(CC(=O)N[O-])C(=O)N1C(CCCN1)C(=O)NC(C2=CC=[N+]3N2C(CCC3)C(=O)O)C(C)CC

InChI

InChI=1S/C26H42N6O6/c1-4-6-9-18(16-22(33)29-38)25(35)31-20(10-7-13-27-31)24(34)28-23(17(3)5-2)19-12-15-30-14-8-11-21(26(36)37)32(19)30/h12,15,17-18,20-21,23,27H,4-11,13-14,16H2,1-3H3,(H3-,28,29,33,34,36,37,38)