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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CCCN4C=CN=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C23H25N5O/c1-27-17-20(16-24-12-5-14-28-15-13-25-18-28)23(26-27)19-8-10-22(11-9-19)29-21-6-3-2-4-7-21/h2-4,6-11,13,15,17-18,24H,5,12,14,16H2,1H3/p+1