2,1,3-benzoxadiazol-5-ylmethyl-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]ammonium Formula: C21H21N4O2+ MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)C[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)C[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C21H20N4O2/c1-14-5-3-6-15(2)20(14)26-21-17(7-4-10-23-21)13-22-12-16-8-9-18-19(11-16)25-27-24-18/h3-11,22H,12-13H2,1-2H3/p+1