2-imidazol-1-ylethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-imidazol-1-ylethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-imidazol-1-ylethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-(1-imidazolyl)ethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-imidazol-1-ylethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-imidazol-1-ylethyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C23H26N5O+ MolecularWeight: 388.48544

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[NH+](C)CCN4C=CN=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CCN4C=CN=C4

InChI

InChI=1S/C23H25N5O/c1-26(14-15-28-13-12-24-18-28)16-20-17-27(2)25-23(20)19-8-10-22(11-9-19)29-21-6-4-3-5-7-21/h3-13,17-18H,14-16H2,1-2H3/p+1