[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-1,2,3-triazol-4-yl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-1,2,3-triazol-4-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-oxomethyl]-4-triazolyl]methyl-cyclohexyl-methylammonium IUPAC Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-cyclohexyl-methylazanium Traditional Name: [3-(4-aminofurazan-3-yl)-5-[[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-cyclohexyl-methyl-ammonium Formula: C20H26N9O4+ MolecularWeight: 456.47834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=CC(=O)C=C3O)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=CC(=O)C=C3O)C4CCCCC4

InChI

InChI=1S/C20H25N9O4/c1-28(13-5-3-2-4-6-13)11-15-17(23-27-29(15)19-18(21)25-33-26-19)20(32)24-22-10-12-7-8-14(30)9-16(12)31/h7-10,13,22,31H,2-6,11H2,1H3,(H2,21,25)(H,24,32)/p+1