(6-bromanyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (6-bromanyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (6-bromo-2-keto-1,3-benzoxazol-3-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H18BrN4O2+ MolecularWeight: 414.27582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

InChI

InChI=1S/C19H17BrN4O2/c1-22(11-14-10-21-24(12-14)16-5-3-2-4-6-16)13-23-17-8-7-15(20)9-18(17)26-19(23)25/h2-10,12H,11,13H2,1H3/p+1