4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-N-oxidanyl-3a,4-dihydrobenzotriazol-5-imine oxide

Systemtic Name: 4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-N-oxidanyl-3a,4-dihydrobenzotriazol-5-imine oxide Openeye Name: 4-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-3a,4-dihydrobenzotriazol-5-imine oxide CAS Name: N-hydroxy-4-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-3a,4-dihydrobenzotriazol-5-imine oxide IUPAC Name: N-hydroxy-4-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-3a,4-dihydrobenzotriazol-5-imine oxide Traditional Name: 4-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-3a,4-dihydrobenzotriazol-5-imine oxide Formula: C14H20N5O3+ MolecularWeight: 306.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=[N+]1CCOCC1)C2C3C(=NN=N3)C=CC2=[N+](O)[O-]

Isomeric SMILES

CC(C)(C=[N+]1CCOCC1)C\2C3C(=NN=N3)C=C/C2=[N+](\O)/[O-]

InChI

InChI=1S/C14H20N5O3/c1-14(2,9-18-5-7-22-8-6-18)12-11(19(20)21)4-3-10-13(12)16-17-15-10/h3-4,9,12-13H,5-8H2,1-2H3,(H,20,21)/q+1