[5-cyano-4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-3-oxidanidyl-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-oxidanyl-oxidanylidene-azanium

Systemtic Name: [5-cyano-4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-3-oxidanidyl-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-oxidanyl-oxidanylidene-azanium Openeye Name: [5-cyano-4-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxo-ammonium CAS Name: [5-cyano-4-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoammonium IUPAC Name: [5-cyano-4-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoazanium Traditional Name: [6-cyano-7-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-1-oxido-3,7-dihydrobenzofurazan-1-ium-4-yl]-hydroxy-keto-ammonium Formula: C15H19N5O5+2 MolecularWeight: 349.34186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=[N+]1CCOCC1)C2C(=CC(=C3C2=[N+](ON3)[O-])[N+](=O)O)C#N

Isomeric SMILES

CC(C)(C=[N+]1CCOCC1)C2C(=CC(=C3C2=[N+](ON3)[O-])[N+](=O)O)C#N

InChI

InChI=1S/C15H19N5O5/c1-15(2,9-18-3-5-24-6-4-18)12-10(8-16)7-11(19(21)22)13-14(12)20(23)25-17-13/h7,9,12,17H,3-6H2,1-2H3,(H,21,22)/q+2