(3Z)-3-[[2-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]-1,2,3-triazol-4-yl]carbonyl]hydrazinyl]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-olate

Systemtic Name: (3Z)-3-[[2-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]-1,2,3-triazol-4-yl]carbonyl]hydrazinyl]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-olate Openeye Name: (3Z)-3-[[2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]triazole-4-carbonyl]hydrazino]methylene]-6-oxo-cyclohexa-1,4-dien-1-olate CAS Name: (3Z)-3-[[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-triazolyl]-oxomethyl]hydrazo]methylidene]-6-oxo-1-cyclohexa-1,4-dienolate IUPAC Name: (3Z)-3-[[2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]triazole-4-carbonyl]hydrazinyl]methylidene]-6-oxocyclohexa-1,4-dien-1-olate Traditional Name: (3Z)-3-[[N'-[1-(4-aminofurazan-3-yl)-5-[(4-methylpiperazin-1-ium-1-yl)methyl]triazole-4-carbonyl]hydrazino]methylene]-6-keto-cyclohexa-1,4-dien-1-olate Formula: C18H22N10O4 MolecularWeight: 442.43188

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NNC=C4C=CC(=O)C(=C4)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C\4/C=CC(=O)C(=C4)[O-]

InChI

InChI=1S/C18H22N10O4/c1-26-4-6-27(7-5-26)10-12-15(21-25-28(12)17-16(19)23-32-24-17)18(31)22-20-9-11-2-3-13(29)14(30)8-11/h2-3,8-9,20,30H,4-7,10H2,1H3,(H2,19,23)(H,22,31)/b11-9-