methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CC4=CC=NN4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CC4=CC=NN4

InChI

InChI=1S/C22H23N5O/c1-26(16-19-12-13-23-24-19)14-18-15-27(2)25-22(18)17-8-10-21(11-9-17)28-20-6-4-3-5-7-20/h3-13,15H,14,16H2,1-2H3,(H,23,24)/p+1