2,1,3-benzoxadiazol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methylammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methylazanium Traditional Name: benzofurazan-5-ylmethyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-methyl-ammonium Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=CC4=NON=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=CC4=NON=C4C=C3)C

InChI

InChI=1S/C20H21N5O/c1-13-4-6-16(8-14(13)2)20-17(10-21-22-20)12-25(3)11-15-5-7-18-19(9-15)24-26-23-18/h4-10H,11-12H2,1-3H3,(H,21,22)/p+1