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

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C24H22N5O2+ MolecularWeight: 412.46378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CC4=CC5=NON=C5C=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C24H21N5O2/c1-29-16-19(15-25-14-17-7-12-22-23(13-17)28-31-27-22)24(26-29)18-8-10-21(11-9-18)30-20-5-3-2-4-6-20/h2-13,16,25H,14-15H2,1H3/p+1